(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C87H89ClF3N23O4S — CID 163510998

IUPAC(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(C)c1ccc2ncnc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1.Cc1noc2ncnc(NC(C)CCc3ccccc3)c12.FC(F)(F)c1cccc(CNc2ncnc3[nH]ncc23)c1.N#Cc1ccc(C(=O)N2CCC(Nc3ncnc4c3CCC4)C2)cc1.c1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1
InChIInChI=1S/C21H22ClN5O.C19H19N5O.C18H20N4OS.C16H18N4O.C13H10F3N5/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;20-10-13-4-6-14(7-5-13)19(25)24-9-8-15(11-24)23-18-16-2-1-3-17(16)21-12-22-18;1-2-4-14(5-3-1)15-12-24-18-16(15)17(20-13-21-18)19-6-7-22-8-10-23-11-9-22;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/h3-8,13-14H,9-12H2,1-2H3;4-7,12,15H,1-3,8-9,11H2,(H,21,22,23);1-5,12-13H,6-11H2,(H,19,20,21);3-7,10-11H,8-9H2,1-2H3,(H,17,18,19);1-4,6-7H,5H2,(H2,17,18,19,20,21)
InChIKeyDCRBTZCRNXJIRN-UHFFFAOYSA-N
MW1645.34 g/mol
LogP14.92
Rot. Bonds19

About (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[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;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 163510998) has the molecular formula C87H89ClF3N23O4S and a molecular weight of 1645.34 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[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;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID163510998
Molecular FormulaC87H89ClF3N23O4S
Molecular Weight1645.34 g/mol
Exact Mass1643.68
IUPAC Name(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(C)c1ccc2ncnc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1.Cc1noc2ncnc(NC(C)CCc3ccccc3)c12.FC(F)(F)c1cccc(CNc2ncnc3[nH]ncc23)c1.N#Cc1ccc(C(=O)N2CCC(Nc3ncnc4c3CCC4)C2)cc1.c1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1
InChIInChI=1S/C21H22ClN5O.C19H19N5O.C18H20N4OS.C16H18N4O.C13H10F3N5/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;20-10-13-4-6-14(7-5-13)19(25)24-9-8-15(11-24)23-18-16-2-1-3-17(16)21-12-22-18;1-2-4-14(5-3-1)15-12-24-18-16(15)17(20-13-21-18)19-6-7-22-8-10-23-11-9-22;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/h3-8,13-14H,9-12H2,1-2H3;4-7,12,15H,1-3,8-9,11H2,(H,21,22,23);1-5,12-13H,6-11H2,(H,19,20,21);3-7,10-11H,8-9H2,1-2H3,(H,17,18,19);1-4,6-7H,5H2,(H2,17,18,19,20,21)
InChIKeyDCRBTZCRNXJIRN-UHFFFAOYSA-N
XLogP14.92
TPSA315.09 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001645.34
LogP ≤ 514.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[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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Related Compounds

4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 163763363
(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

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[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;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 163510998) is (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[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;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[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;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CN(C)c1ccc2ncnc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1.Cc1noc2ncnc(NC(C)CCc3ccccc3)c12.FC(F)(F)c1cccc(CNc2ncnc3[nH]ncc23)c1.N#Cc1ccc(C(=O)N2CCC(Nc3ncnc4c3CCC4)C2)cc1.c1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is DCRBTZCRNXJIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O.C19H19N5O.C18H20N4OS.C16H18N4O.C13H10F3N5/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;20-10-13-4-6-14(7-5-13)19(25)24-9-8-15(11-24)23-18-16-2-1-3-17(16)21-12-22-18;1-2-4-14(5-3-1)15-12-24-18-16(15)17(20-13-21-18)19-6-7-22-8-10-23-11-9-22;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/h3-8,13-14H,9-12H2,1-2H3;4-7,12,15H,1-3,8-9,11H2,(H,21,22,23);1-5,12-13H,6-11H2,(H,19,20,21);3-7,10-11H,8-9H2,1-2H3,(H,17,18,19);1-4,6-7H,5H2,(H2,17,18,19,20,21).
What are the key properties of (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[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;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 1645.34 g/mol, XLogP of 14.92, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidine-1-carbonyl]benzonitrile;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 163510998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).