(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine

C93H137F4N29O2 — CID 167571930

About (5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine

(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 167571930) has the molecular formula C93H137F4N29O2 and a molecular weight of 1769.31 g/mol. Its IUPAC name is (5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: (5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 167571930
• Molecular Formula: C93H137F4N29O2
• Molecular Weight: 1769.31 g/mol
• Exact Mass: 1768.14
• IUPAC Name: (5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
• SMILES: CCCC[C@@](C)(CC)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@@](C)(CC)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2c(C)ccnc12.CCCC[C@](C)(CC[C@@H](C)C(F)(F)F)Nc1nc(N)nc2cccnc12.CCC[C@](C)(CC)Nc1nc(N)nc2cccnc12.COc1cnc2c(NC(C)(C)C)nc(C)nc2c1
• InChI: InChI=1S/C18H26F3N5.C18H27N5O.C15H22FN5.C15H23N5.C14H21N5.C13H18N4O/c1-4-5-9-17(3,10-8-12(2)18(19,20)21)26-15-14-13(7-6-11-23-14)24-16(22)25-15;1-5-6-9-18(4,10-7-13(3)24)23-16-15-14(21-17(19)22-16)12(2)8-11-20-15;1-4-6-7-15(3,5-2)21-13-12-11(19-14(17)20-13)8-10(16)9-18-12;1-4-6-9-15(3,5-2)20-13-12-11(8-7-10-17-12)18-14(16)19-13;1-4-8-14(3,5-2)19-12-11-10(7-6-9-16-11)17-13(15)18-12;1-8-15-10-6-9(18-5)7-14-11(10)12(16-8)17-13(2,3)4/h6-7,11-12H,4-5,8-10H2,1-3H3,(H3,22,24,25,26);8,11H,5-7,9-10H2,1-4H3,(H3,19,21,22,23);8-9H,4-7H2,1-3H3,(H3,17,19,20,21);7-8,10H,4-6,9H2,1-3H3,(H3,16,18,19,20);6-7,9H,4-5,8H2,1-3H3,(H3,15,17,18,19);6-7H,1-5H3,(H,15,16,17)/t12-,17-;18-;2*15-;14-;/m10110./s1
• InChIKey: GADOKKOQJFUANC-MNEDLOLGSA-N
• XLogP: 21.03
• TPSA: 460.60 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1769.31
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of (5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine (CID 167571930) is (5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for (5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for (5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine is CCCC[C@@](C)(CC)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@@](C)(CC)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2c(C)ccnc12.CCCC[C@](C)(CC[C@@H](C)C(F)(F)F)Nc1nc(N)nc2cccnc12.CCC[C@](C)(CC)Nc1nc(N)nc2cccnc12.COc1cnc2c(NC(C)(C)C)nc(C)nc2c1.

What is the InChIKey of (5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is GADOKKOQJFUANC-MNEDLOLGSA-N. The full InChI is InChI=1S/C18H26F3N5.C18H27N5O.C15H22FN5.C15H23N5.C14H21N5.C13H18N4O/c1-4-5-9-17(3,10-8-12(2)18(19,20)21)26-15-14-13(7-6-11-23-14)24-16(22)25-15;1-5-6-9-18(4,10-7-13(3)24)23-16-15-14(21-17(19)22-16)12(2)8-11-20-15;1-4-6-7-15(3,5-2)21-13-12-11(19-14(17)20-13)8-10(16)9-18-12;1-4-6-9-15(3,5-2)20-13-12-11(8-7-10-17-12)18-14(16)19-13;1-4-8-14(3,5-2)19-12-11-10(7-6-9-16-11)17-13(15)18-12;1-8-15-10-6-9(18-5)7-14-11(10)12(16-8)17-13(2,3)4/h6-7,11-12H,4-5,8-10H2,1-3H3,(H3,22,24,25,26);8,11H,5-7,9-10H2,1-4H3,(H3,19,21,22,23);8-9H,4-7H2,1-3H3,(H3,17,19,20,21);7-8,10H,4-6,9H2,1-3H3,(H3,16,18,19,20);6-7,9H,4-5,8H2,1-3H3,(H3,15,17,18,19);6-7H,1-5H3,(H,15,16,17)/t12-,17-;18-;2*15-;14-;/m10110./s1.

What are the key properties of (5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine?

(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1769.31 g/mol, XLogP of 21.03, 35 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 167571930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).