1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea

C140H150F4N50O12 — CID 157233891

IUPAC1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea
SMILESCONc1cc(C)nc(NC(=O)Nc2ccc3cnc(C)cc3c2)n1.CONc1nc(NC(=O)Nc2ccc3cnc(C)cc3c2)nc(C)c1F.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(N)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(NCCCN(C)C)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(NO)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)cc(N)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)cc(NCCCN(C)C)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)cc(NO)n3)ccc2cn1
InChIInChI=1S/C21H26FN7O.C21H27N7O.C17H17FN6O2.C17H18N6O2.C16H15FN6O2.C16H15FN6O.C16H16N6O2.C16H16N6O/c1-13-10-16-11-17(7-6-15(16)12-24-13)26-21(30)28-20-25-14(2)18(22)19(27-20)23-8-5-9-29(3)4;1-14-10-17-12-18(7-6-16(17)13-23-14)25-21(29)27-20-24-15(2)11-19(26-20)22-8-5-9-28(3)4;1-9-6-12-7-13(5-4-11(12)8-19-9)21-17(25)23-16-20-10(2)14(18)15(22-16)24-26-3;1-10-6-13-8-14(5-4-12(13)9-18-10)20-17(24)22-16-19-11(2)7-15(21-16)23-25-3;1-8-5-11-6-12(4-3-10(11)7-18-8)20-16(24)22-15-19-9(2)13(17)14(21-15)23-25;1-8-5-11-6-12(4-3-10(11)7-19-8)21-16(24)23-15-20-9(2)13(17)14(18)22-15;1-9-5-12-7-13(4-3-11(12)8-17-9)19-16(23)21-15-18-10(2)6-14(20-15)22-24;1-9-5-12-7-13(4-3-11(12)8-18-9)20-16(23)22-15-19-10(2)6-14(17)21-15/h6-7,10-12H,5,8-9H2,1-4H3,(H3,23,25,26,27,28,30);6-7,10-13H,5,8-9H2,1-4H3,(H3,22,24,25,26,27,29);4-8H,1-3H3,(H3,20,21,22,23,24,25);4-9H,1-3H3,(H3,19,20,21,22,23,24);3-7,25H,1-2H3,(H3,19,20,21,22,23,24);3-7H,1-2H3,(H4,18,20,21,22,23,24);3-8,24H,1-2H3,(H3,18,19,20,21,22,23);3-8H,1-2H3,(H4,17,19,20,21,22,23)
InChIKeyAUKJNFPAMVOKKS-UHFFFAOYSA-N
MW2801.07 g/mol
LogP26.28
Rot. Bonds32

About 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea

1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea (PubChem CID 157233891) has the molecular formula C140H150F4N50O12 and a molecular weight of 2801.07 g/mol. Its IUPAC name is 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea.

Molecular Properties

Compound Name1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea
PubChem CID157233891
Molecular FormulaC140H150F4N50O12
Molecular Weight2801.07 g/mol
Exact Mass2799.26
IUPAC Name1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea
SMILESCONc1cc(C)nc(NC(=O)Nc2ccc3cnc(C)cc3c2)n1.CONc1nc(NC(=O)Nc2ccc3cnc(C)cc3c2)nc(C)c1F.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(N)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(NCCCN(C)C)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(NO)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)cc(N)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)cc(NCCCN(C)C)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)cc(NO)n3)ccc2cn1
InChIInChI=1S/C21H26FN7O.C21H27N7O.C17H17FN6O2.C17H18N6O2.C16H15FN6O2.C16H15FN6O.C16H16N6O2.C16H16N6O/c1-13-10-16-11-17(7-6-15(16)12-24-13)26-21(30)28-20-25-14(2)18(22)19(27-20)23-8-5-9-29(3)4;1-14-10-17-12-18(7-6-16(17)13-23-14)25-21(29)27-20-24-15(2)11-19(26-20)22-8-5-9-28(3)4;1-9-6-12-7-13(5-4-11(12)8-19-9)21-17(25)23-16-20-10(2)14(18)15(22-16)24-26-3;1-10-6-13-8-14(5-4-12(13)9-18-10)20-17(24)22-16-19-11(2)7-15(21-16)23-25-3;1-8-5-11-6-12(4-3-10(11)7-18-8)20-16(24)22-15-19-9(2)13(17)14(21-15)23-25;1-8-5-11-6-12(4-3-10(11)7-19-8)21-16(24)23-15-20-9(2)13(17)14(18)22-15;1-9-5-12-7-13(4-3-11(12)8-17-9)19-16(23)21-15-18-10(2)6-14(20-15)22-24;1-9-5-12-7-13(4-3-11(12)8-18-9)20-16(23)22-15-19-10(2)6-14(17)21-15/h6-7,10-12H,5,8-9H2,1-4H3,(H3,23,25,26,27,28,30);6-7,10-13H,5,8-9H2,1-4H3,(H3,22,24,25,26,27,29);4-8H,1-3H3,(H3,20,21,22,23,24,25);4-9H,1-3H3,(H3,19,20,21,22,23,24);3-7,25H,1-2H3,(H3,19,20,21,22,23,24);3-7H,1-2H3,(H4,18,20,21,22,23,24);3-8,24H,1-2H3,(H3,18,19,20,21,22,23);3-8H,1-2H3,(H4,17,19,20,21,22,23)
InChIKeyAUKJNFPAMVOKKS-UHFFFAOYSA-N
XLogP26.28
TPSA828.02 Ų
H-Bond Donors26
H-Bond Acceptors46
Rotatable Bonds32
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002801.07
LogP ≤ 526.28
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea with MolForge

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Related Compounds

8-(2,6-Difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-pyridin-3-ylethylamino)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 21114370
1-[6-(Benzylamino)-5-fluoro-8-(2-methoxypyrimidin-5-yl)isoquinolin-3-yl]-3-ethylurea
CID 67447957
5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 87964579
[1-(2,6-difluorophenyl)-5-(4-fluoro-2-methylphenyl)-2-oxo-7-(2-pyridin-3-ylethylamino)-4H-pyrimido[4,5-d]pyrimidin-3-yl] 2,2,2-trifluoroacetate
CID 141604022
1-[[5-[[1-[3-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]methyl]-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-isoquinolin-3-ylurea
CID 144516130
5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-N-methoxyisoquinolin-8-amine
CID 146407816
1-[4-[3-(Dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-fluoroisoquinolin-6-yl)urea
CID 155451218
1-[4-[3-(Dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-fluoroisoquinolin-6-yl)urea
CID 155451282
1-(4-Amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-fluoroisoquinolin-6-yl)urea
CID 155451297
1-[4-[3-(Dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-fluoroisoquinolin-6-yl)urea
CID 155451300
3-(2,2-difluoroethyl)-1-[4-[[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]-1-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea
CID 156083758
1-[4-Amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea
CID 157183505

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea?
The IUPAC name of 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea (CID 157233891) is 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea.
What is the SMILES notation for 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea?
The canonical SMILES for 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea is CONc1cc(C)nc(NC(=O)Nc2ccc3cnc(C)cc3c2)n1.CONc1nc(NC(=O)Nc2ccc3cnc(C)cc3c2)nc(C)c1F.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(N)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(NCCCN(C)C)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(NO)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)cc(N)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)cc(NCCCN(C)C)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(C)cc(NO)n3)ccc2cn1.
What is the InChIKey of 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea?
The InChIKey is AUKJNFPAMVOKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN7O.C21H27N7O.C17H17FN6O2.C17H18N6O2.C16H15FN6O2.C16H15FN6O.C16H16N6O2.C16H16N6O/c1-13-10-16-11-17(7-6-15(16)12-24-13)26-21(30)28-20-25-14(2)18(22)19(27-20)23-8-5-9-29(3)4;1-14-10-17-12-18(7-6-16(17)13-23-14)25-21(29)27-20-24-15(2)11-19(26-20)22-8-5-9-28(3)4;1-9-6-12-7-13(5-4-11(12)8-19-9)21-17(25)23-16-20-10(2)14(18)15(22-16)24-26-3;1-10-6-13-8-14(5-4-12(13)9-18-10)20-17(24)22-16-19-11(2)7-15(21-16)23-25-3;1-8-5-11-6-12(4-3-10(11)7-18-8)20-16(24)22-15-19-9(2)13(17)14(21-15)23-25;1-8-5-11-6-12(4-3-10(11)7-19-8)21-16(24)23-15-20-9(2)13(17)14(18)22-15;1-9-5-12-7-13(4-3-11(12)8-17-9)19-16(23)21-15-18-10(2)6-14(20-15)22-24;1-9-5-12-7-13(4-3-11(12)8-18-9)20-16(23)22-15-19-10(2)6-14(17)21-15/h6-7,10-12H,5,8-9H2,1-4H3,(H3,23,25,26,27,28,30);6-7,10-13H,5,8-9H2,1-4H3,(H3,22,24,25,26,27,29);4-8H,1-3H3,(H3,20,21,22,23,24,25);4-9H,1-3H3,(H3,19,20,21,22,23,24);3-7,25H,1-2H3,(H3,19,20,21,22,23,24);3-7H,1-2H3,(H4,18,20,21,22,23,24);3-8,24H,1-2H3,(H3,18,19,20,21,22,23);3-8H,1-2H3,(H4,17,19,20,21,22,23).
What are the key properties of 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea?
1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea has a molecular weight of 2801.07 g/mol, XLogP of 26.28, 32 rotatable bonds, 26 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea is sourced from PubChem (CID 157233891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).