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

C66H67F3N18O3S — CID 163763363

IUPAC4-[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
SMILESCc1noc2ncnc(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/C19H19N5O.C18H20N4OS.C16H18N4O.C13H10F3N5/c20-10-13-4-6-14(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/h4-7,12,15H,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)
InChIKeyMACWUTIXJAGWRD-UHFFFAOYSA-N
MW1249.45 g/mol
LogP11.61
Rot. Bonds16

About 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-[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 163763363) has the molecular formula C66H67F3N18O3S and a molecular weight of 1249.45 g/mol. Its IUPAC name is 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 Name4-[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 CID163763363
Molecular FormulaC66H67F3N18O3S
Molecular Weight1249.45 g/mol
Exact Mass1248.53
IUPAC Name4-[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
SMILESCc1noc2ncnc(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/C19H19N5O.C18H20N4OS.C16H18N4O.C13H10F3N5/c20-10-13-4-6-14(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/h4-7,12,15H,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)
InChIKeyMACWUTIXJAGWRD-UHFFFAOYSA-N
XLogP11.61
TPSA262.52 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001249.45
LogP ≤ 511.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 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-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

Frequently Asked Questions

What is the IUPAC name of 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-[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) is 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-[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-[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 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-[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 MACWUTIXJAGWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O.C18H20N4OS.C16H18N4O.C13H10F3N5/c20-10-13-4-6-14(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/h4-7,12,15H,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-[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-[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 1249.45 g/mol, XLogP of 11.61, 16 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 163763363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).