(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C83H83ClF6N22O3S — CID 163985994

IUPAC(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2sccc12)c1ccccn1.CN(C)c1ccc2ncnc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1.COc1cccc(C(CNc2nc(C(F)(F)F)nc3ccccc23)N(C)C)c1.Cc1noc2ncnc(NC(C)CCc3ccccc3)c12.FC(F)(F)c1cccc(CNc2ncnc3[nH]ncc23)c1
InChIInChI=1S/C21H22ClN5O.C20H21F3N4O.C16H18N4O.C13H10F3N5.C13H12N4S/c1-25(2)17-7-8-19-18(13-17)20(24-14-23-19)26-9-11-27(12-10-26)21(28)15-3-5-16(22)6-4-15;1-27(2)17(13-7-6-8-14(11-13)28-3)12-24-18-15-9-4-5-10-16(15)25-19(26-18)20(21,22)23;1-11(8-9-13-6-4-3-5-7-13)19-15-14-12(2)20-21-16(14)18-10-17-15;14-13(15,16)9-3-1-2-8(4-9)5-17-11-10-6-20-21-12(10)19-7-18-11;1-9(11-4-2-3-6-14-11)17-12-10-5-7-18-13(10)16-8-15-12/h3-8,13-14H,9-12H2,1-2H3;4-11,17H,12H2,1-3H3,(H,24,25,26);3-7,10-11H,8-9H2,1-2H3,(H,17,18,19);1-4,6-7H,5H2,(H2,17,18,19,20,21);2-9H,1H3,(H,15,16,17)
InChIKeyTWJVJMDANSEQNC-UHFFFAOYSA-N
MW1618.24 g/mol
LogP17.29
Rot. Bonds20

About (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 163985994) has the molecular formula C83H83ClF6N22O3S and a molecular weight of 1618.24 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID163985994
Molecular FormulaC83H83ClF6N22O3S
Molecular Weight1618.24 g/mol
Exact Mass1616.63
IUPAC Name(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2sccc12)c1ccccn1.CN(C)c1ccc2ncnc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1.COc1cccc(C(CNc2nc(C(F)(F)F)nc3ccccc23)N(C)C)c1.Cc1noc2ncnc(NC(C)CCc3ccccc3)c12.FC(F)(F)c1cccc(CNc2ncnc3[nH]ncc23)c1
InChIInChI=1S/C21H22ClN5O.C20H21F3N4O.C16H18N4O.C13H10F3N5.C13H12N4S/c1-25(2)17-7-8-19-18(13-17)20(24-14-23-19)26-9-11-27(12-10-26)21(28)15-3-5-16(22)6-4-15;1-27(2)17(13-7-6-8-14(11-13)28-3)12-24-18-15-9-4-5-10-16(15)25-19(26-18)20(21,22)23;1-11(8-9-13-6-4-3-5-7-13)19-15-14-12(2)20-21-16(14)18-10-17-15;14-13(15,16)9-3-1-2-8(4-9)5-17-11-10-6-20-21-12(10)19-7-18-11;1-9(11-4-2-3-6-14-11)17-12-10-5-7-18-13(10)16-8-15-12/h3-8,13-14H,9-12H2,1-2H3;4-11,17H,12H2,1-3H3,(H,24,25,26);3-7,10-11H,8-9H2,1-2H3,(H,17,18,19);1-4,6-7H,5H2,(H2,17,18,19,20,21);2-9H,1H3,(H,15,16,17)
InChIKeyTWJVJMDANSEQNC-UHFFFAOYSA-N
XLogP17.29
TPSA283.88 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms116
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001618.24
LogP ≤ 517.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 163985994) is (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CC(Nc1ncnc2sccc12)c1ccccn1.CN(C)c1ccc2ncnc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1.COc1cccc(C(CNc2nc(C(F)(F)F)nc3ccccc23)N(C)C)c1.Cc1noc2ncnc(NC(C)CCc3ccccc3)c12.FC(F)(F)c1cccc(CNc2ncnc3[nH]ncc23)c1.
What is the InChIKey of (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is TWJVJMDANSEQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O.C20H21F3N4O.C16H18N4O.C13H10F3N5.C13H12N4S/c1-25(2)17-7-8-19-18(13-17)20(24-14-23-19)26-9-11-27(12-10-26)21(28)15-3-5-16(22)6-4-15;1-27(2)17(13-7-6-8-14(11-13)28-3)12-24-18-15-9-4-5-10-16(15)25-19(26-18)20(21,22)23;1-11(8-9-13-6-4-3-5-7-13)19-15-14-12(2)20-21-16(14)18-10-17-15;14-13(15,16)9-3-1-2-8(4-9)5-17-11-10-6-20-21-12(10)19-7-18-11;1-9(11-4-2-3-6-14-11)17-12-10-5-7-18-13(10)16-8-15-12/h3-8,13-14H,9-12H2,1-2H3;4-11,17H,12H2,1-3H3,(H,24,25,26);3-7,10-11H,8-9H2,1-2H3,(H,17,18,19);1-4,6-7H,5H2,(H2,17,18,19,20,21);2-9H,1H3,(H,15,16,17).
What are the key properties of (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 1618.24 g/mol, XLogP of 17.29, 20 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 163985994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).