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

C45H64ClF3N14O2 — CID 167588527

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

(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;4-N-[(2R,5S)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 167588527) has the molecular formula C45H64ClF3N14O2 and a molecular weight of 925.55 g/mol. Its IUPAC name is (2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;4-N-[(2R,5S)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: (2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;4-N-[(2R,5S)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 167588527
• Molecular Formula: C45H64ClF3N14O2
• Molecular Weight: 925.55 g/mol
• Exact Mass: 924.50
• IUPAC Name: (2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;4-N-[(2R,5S)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
• SMILES: CCCC[C@@](C)(CC[C@@H](C)C(F)(F)F)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CO)Nc1nc(N)nc2cc(Cl)cnc12.COc1cnc2c(NC(C)(C)C)nc(C)nc2c1
• InChI: InChI=1S/C18H26F3N5.C14H20ClN5O.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;1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11;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);6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20);6-7H,1-5H3,(H,15,16,17)/t12-,17+;14-;/m10./s1
• InChIKey: ICSHDGKFVFBGJC-GBNCCUAFSA-N
• XLogP: 10.11
• TPSA: 233.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	925.55
LogP ≤ 5	10.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;4-N-[(2R,5S)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine (CID 167588527) is (2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;4-N-[(2R,5S)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine.

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

The canonical SMILES for (2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;4-N-[(2R,5S)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine is CCCC[C@@](C)(CC[C@@H](C)C(F)(F)F)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CO)Nc1nc(N)nc2cc(Cl)cnc12.COc1cnc2c(NC(C)(C)C)nc(C)nc2c1.

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

The InChIKey is ICSHDGKFVFBGJC-GBNCCUAFSA-N. The full InChI is InChI=1S/C18H26F3N5.C14H20ClN5O.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;1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11;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);6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20);6-7H,1-5H3,(H,15,16,17)/t12-,17+;14-;/m10./s1.

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

(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;4-N-[(2R,5S)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 925.55 g/mol, XLogP of 10.11, 16 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;N-tert-butyl-7-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine;4-N-[(2R,5S)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 167588527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).