1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide

C153H177N51O12S — CID 158702561

IUPAC1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide
SMILESCC(=O)CCCNc1cc(C)nc(NC(=O)Nc2ccc3ncccc3c2)n1.CC(=O)NCCCNc1cc(C)nc(NC(=O)Nc2ccc3ncccc3c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCN)nc(NC(=O)Nc2ccc3ncccc3c2)n1.Cc1cc(NCCCS(C)(=O)=O)nc(NC(=O)Nc2ccc3ncccc3c2)n1.Cc1cc(NCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN)nc(NC(=O)Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C21H26N6O.C20H23N7O2.C20H22N6O2.C20H24N6O.C19H22N6O3S.C18H21N7O.C18H20N6O.C17H19N7O/c1-15-13-19(22-11-6-12-27(2)3)25-20(23-15)26-21(28)24-18-10-9-16-7-4-5-8-17(16)14-18;1-13-11-18(23-10-4-9-21-14(2)28)26-19(24-13)27-20(29)25-16-6-7-17-15(12-16)5-3-8-22-17;1-13-11-18(22-10-3-5-14(2)27)25-19(23-13)26-20(28)24-16-7-8-17-15(12-16)6-4-9-21-17;1-14-12-18(21-10-11-26(2)3)24-19(22-14)25-20(27)23-17-9-8-15-6-4-5-7-16(15)13-17;1-13-11-17(21-9-4-10-29(2,27)28)24-18(22-13)25-19(26)23-15-6-7-16-14(12-15)5-3-8-20-16;1-12-10-16(21-9-3-7-19)24-17(22-12)25-18(26)23-14-5-6-15-13(11-14)4-2-8-20-15;1-12-10-16(20-9-8-19)23-17(21-12)24-18(25)22-15-7-6-13-4-2-3-5-14(13)11-15;1-11-9-15(20-8-6-18)23-16(21-11)24-17(25)22-13-4-5-14-12(10-13)3-2-7-19-14/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H3,22,23,24,25,26,28);3,5-8,11-12H,4,9-10H2,1-2H3,(H,21,28)(H3,23,24,25,26,27,29);4,6-9,11-12H,3,5,10H2,1-2H3,(H3,22,23,24,25,26,28);4-9,12-13H,10-11H2,1-3H3,(H3,21,22,23,24,25,27);3,5-8,11-12H,4,9-10H2,1-2H3,(H3,21,22,23,24,25,26);2,4-6,8,10-11H,3,7,9,19H2,1H3,(H3,21,22,23,24,25,26);2-7,10-11H,8-9,19H2,1H3,(H3,20,21,22,23,24,25);2-5,7,9-10H,6,8,18H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyIHSMKSKDVCOYEJ-UHFFFAOYSA-N
MW2954.51 g/mol
LogP25.04
Rot. Bonds50

About 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide

1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide (PubChem CID 158702561) has the molecular formula C153H177N51O12S and a molecular weight of 2954.51 g/mol. Its IUPAC name is 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide.

Molecular Properties

Compound Name1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide
PubChem CID158702561
Molecular FormulaC153H177N51O12S
Molecular Weight2954.51 g/mol
Exact Mass2952.45
IUPAC Name1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide
SMILESCC(=O)CCCNc1cc(C)nc(NC(=O)Nc2ccc3ncccc3c2)n1.CC(=O)NCCCNc1cc(C)nc(NC(=O)Nc2ccc3ncccc3c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCN)nc(NC(=O)Nc2ccc3ncccc3c2)n1.Cc1cc(NCCCS(C)(=O)=O)nc(NC(=O)Nc2ccc3ncccc3c2)n1.Cc1cc(NCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN)nc(NC(=O)Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C21H26N6O.C20H23N7O2.C20H22N6O2.C20H24N6O.C19H22N6O3S.C18H21N7O.C18H20N6O.C17H19N7O/c1-15-13-19(22-11-6-12-27(2)3)25-20(23-15)26-21(28)24-18-10-9-16-7-4-5-8-17(16)14-18;1-13-11-18(23-10-4-9-21-14(2)28)26-19(24-13)27-20(29)25-16-6-7-17-15(12-16)5-3-8-22-17;1-13-11-18(22-10-3-5-14(2)27)25-19(23-13)26-20(28)24-16-7-8-17-15(12-16)6-4-9-21-17;1-14-12-18(21-10-11-26(2)3)24-19(22-14)25-20(27)23-17-9-8-15-6-4-5-7-16(15)13-17;1-13-11-17(21-9-4-10-29(2,27)28)24-18(22-13)25-19(26)23-15-6-7-16-14(12-15)5-3-8-20-16;1-12-10-16(21-9-3-7-19)24-17(22-12)25-18(26)23-14-5-6-15-13(11-14)4-2-8-20-15;1-12-10-16(20-9-8-19)23-17(21-12)24-18(25)22-15-7-6-13-4-2-3-5-14(13)11-15;1-11-9-15(20-8-6-18)23-16(21-11)24-17(25)22-13-4-5-14-12(10-13)3-2-7-19-14/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H3,22,23,24,25,26,28);3,5-8,11-12H,4,9-10H2,1-2H3,(H,21,28)(H3,23,24,25,26,27,29);4,6-9,11-12H,3,5,10H2,1-2H3,(H3,22,23,24,25,26,28);4-9,12-13H,10-11H2,1-3H3,(H3,21,22,23,24,25,27);3,5-8,11-12H,4,9-10H2,1-2H3,(H3,21,22,23,24,25,26);2,4-6,8,10-11H,3,7,9,19H2,1H3,(H3,21,22,23,24,25,26);2-7,10-11H,8-9,19H2,1H3,(H3,20,21,22,23,24,25);2-5,7,9-10H,6,8,18H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyIHSMKSKDVCOYEJ-UHFFFAOYSA-N
XLogP25.04
TPSA860.82 Ų
H-Bond Donors28
H-Bond Acceptors46
Rotatable Bonds50
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002954.51
LogP ≤ 525.04
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide with MolForge

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Related Compounds

9-(6-amino-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-aminopyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 158273845
9-(6-amino-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-aminopyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-naphthalen-1-yl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 159829943
N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;1-[1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]azetidin-3-yl]-3-[(6-methylquinazolin-4-yl)amino]propan-2-one;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-[(2,2,2-trifluoroacetyl)amino]propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 160072279
1-[(2S)-2-[3-[[2-[(3S,4R)-3-fluoro-4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]pyrimidin-4-yl]amino]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]isoquinolin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 166465921
2-[[5-[5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide
CID 51030364
2-[[5-[4-[Methyl(pyridin-2-yl)amino]-5-phenylquinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide
CID 67055895
6-(2-Methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyridin-4-ylsulfonyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 89632427
1-[4-[4-[methyl-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]amino]quinazolin-7-yl]piperazin-1-yl]ethanone;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-thiomorpholin-4-ylquinazolin-4-amine
CID 117603682
1-[4-[4-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]quinazolin-7-yl]piperazin-1-yl]ethanone;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-thiomorpholin-4-ylquinazolin-4-amine
CID 117603685
1-[4-[4-[methyl-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]amino]quinazolin-7-yl]piperidin-1-yl]ethanone;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-amine
CID 117604477
1-[4-[4-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]quinazolin-7-yl]piperidin-1-yl]ethanone;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-amine
CID 117604478
N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide
CID 122643337

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide?
The IUPAC name of 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide (CID 158702561) is 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide.
What is the SMILES notation for 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide?
The canonical SMILES for 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide is CC(=O)CCCNc1cc(C)nc(NC(=O)Nc2ccc3ncccc3c2)n1.CC(=O)NCCCNc1cc(C)nc(NC(=O)Nc2ccc3ncccc3c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCN)nc(NC(=O)Nc2ccc3ncccc3c2)n1.Cc1cc(NCCCS(C)(=O)=O)nc(NC(=O)Nc2ccc3ncccc3c2)n1.Cc1cc(NCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN)nc(NC(=O)Nc2ccc3ncccc3c2)n1.
What is the InChIKey of 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide?
The InChIKey is IHSMKSKDVCOYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O.C20H23N7O2.C20H22N6O2.C20H24N6O.C19H22N6O3S.C18H21N7O.C18H20N6O.C17H19N7O/c1-15-13-19(22-11-6-12-27(2)3)25-20(23-15)26-21(28)24-18-10-9-16-7-4-5-8-17(16)14-18;1-13-11-18(23-10-4-9-21-14(2)28)26-19(24-13)27-20(29)25-16-6-7-17-15(12-16)5-3-8-22-17;1-13-11-18(22-10-3-5-14(2)27)25-19(23-13)26-20(28)24-16-7-8-17-15(12-16)6-4-9-21-17;1-14-12-18(21-10-11-26(2)3)24-19(22-14)25-20(27)23-17-9-8-15-6-4-5-7-16(15)13-17;1-13-11-17(21-9-4-10-29(2,27)28)24-18(22-13)25-19(26)23-15-6-7-16-14(12-15)5-3-8-20-16;1-12-10-16(21-9-3-7-19)24-17(22-12)25-18(26)23-14-5-6-15-13(11-14)4-2-8-20-15;1-12-10-16(20-9-8-19)23-17(21-12)24-18(25)22-15-7-6-13-4-2-3-5-14(13)11-15;1-11-9-15(20-8-6-18)23-16(21-11)24-17(25)22-13-4-5-14-12(10-13)3-2-7-19-14/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H3,22,23,24,25,26,28);3,5-8,11-12H,4,9-10H2,1-2H3,(H,21,28)(H3,23,24,25,26,27,29);4,6-9,11-12H,3,5,10H2,1-2H3,(H3,22,23,24,25,26,28);4-9,12-13H,10-11H2,1-3H3,(H3,21,22,23,24,25,27);3,5-8,11-12H,4,9-10H2,1-2H3,(H3,21,22,23,24,25,26);2,4-6,8,10-11H,3,7,9,19H2,1H3,(H3,21,22,23,24,25,26);2-7,10-11H,8-9,19H2,1H3,(H3,20,21,22,23,24,25);2-5,7,9-10H,6,8,18H2,1H3,(H3,20,21,22,23,24,25).
What are the key properties of 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide?
1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide has a molecular weight of 2954.51 g/mol, XLogP of 25.04, 50 rotatable bonds, 28 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide is sourced from PubChem (CID 158702561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).