(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine

C36H52ClF3N10O — CID 161453106

About (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine

(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 161453106) has the molecular formula C36H52ClF3N10O and a molecular weight of 733.33 g/mol. Its IUPAC name is (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;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: (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 161453106
• Molecular Formula: C36H52ClF3N10O
• Molecular Weight: 733.33 g/mol
• Exact Mass: 732.40
• IUPAC Name: (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
• SMILES: CCCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@](C)(CC[C@@H](C)C(F)(F)F)Nc1nc(N)nc2cccnc12
• InChI: InChI=1S/C18H26ClN5O.C18H26F3N5/c1-4-5-6-8-18(3,9-7-12(2)25)24-16-15-14(22-17(20)23-16)10-13(19)11-21-15;1-4-5-9-17(3,10-8-12(2)18(19,20)21)26-15-14-13(7-6-11-23-14)24-16(22)25-15/h10-11H,4-9H2,1-3H3,(H3,20,22,23,24);6-7,11-12H,4-5,8-10H2,1-3H3,(H3,22,24,25,26)/t18-;12-,17-/m11/s1
• InChIKey: WAUHLWYCLAWEGM-AFWQBRLOSA-N
• XLogP: 9.33
• TPSA: 170.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	733.33
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;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 (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine (CID 161453106) is (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;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 (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;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 (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine is CCCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@](C)(CC[C@@H](C)C(F)(F)F)Nc1nc(N)nc2cccnc12.

What is the InChIKey of (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is WAUHLWYCLAWEGM-AFWQBRLOSA-N. The full InChI is InChI=1S/C18H26ClN5O.C18H26F3N5/c1-4-5-6-8-18(3,9-7-12(2)25)24-16-15-14(22-17(20)23-16)10-13(19)11-21-15;1-4-5-9-17(3,10-8-12(2)18(19,20)21)26-15-14-13(7-6-11-23-14)24-16(22)25-15/h10-11H,4-9H2,1-3H3,(H3,20,22,23,24);6-7,11-12H,4-5,8-10H2,1-3H3,(H3,22,24,25,26)/t18-;12-,17-/m11/s1.

What are the key properties of (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine?

(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;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 733.33 g/mol, XLogP of 9.33, 17 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;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 161453106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).