(7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C32H31BrF2N8O3 — CID 159800986

About (7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

(7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 159800986) has the molecular formula C32H31BrF2N8O3 and a molecular weight of 693.55 g/mol. Its IUPAC name is (7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: (7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
• PubChem CID: 159800986
• Molecular Formula: C32H31BrF2N8O3
• Molecular Weight: 693.55 g/mol
• Exact Mass: 692.17
• IUPAC Name: (7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
• SMILES: Cc1nc(N)nc2c1C(=O)N[C@@H](c1ccc(F)cc1Br)C2.Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1OC1CCCC1)NC2=O
• InChI: InChI=1S/C18H19FN4O2.C14H12BrFN4O/c19-10-5-6-12(16(7-10)25-11-3-1-2-4-11)14-8-15-13(17(24)22-14)9-21-18(20)23-15;1-6-12-11(20-14(17)18-6)5-10(19-13(12)21)8-3-2-7(16)4-9(8)15/h5-7,9,11,14H,1-4,8H2,(H,22,24)(H2,20,21,23);2-4,10H,5H2,1H3,(H,19,21)(H2,17,18,20)/t14-;10-/m11/s1
• InChIKey: NJTZMOCZNBEYSV-LVZMNMBTSA-N
• XLogP: 4.84
• TPSA: 171.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	693.55
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?

The IUPAC name of (7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 159800986) is (7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

What is the SMILES notation for (7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?

The canonical SMILES for (7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is Cc1nc(N)nc2c1C(=O)N[C@@H](c1ccc(F)cc1Br)C2.Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1OC1CCCC1)NC2=O.

What is the InChIKey of (7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?

The InChIKey is NJTZMOCZNBEYSV-LVZMNMBTSA-N. The full InChI is InChI=1S/C18H19FN4O2.C14H12BrFN4O/c19-10-5-6-12(16(7-10)25-11-3-1-2-4-11)14-8-15-13(17(24)22-14)9-21-18(20)23-15;1-6-12-11(20-14(17)18-6)5-10(19-13(12)21)8-3-2-7(16)4-9(8)15/h5-7,9,11,14H,1-4,8H2,(H,22,24)(H2,20,21,23);2-4,10H,5H2,1H3,(H,19,21)(H2,17,18,20)/t14-;10-/m11/s1.

What are the key properties of (7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?

(7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 693.55 g/mol, XLogP of 4.84, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 159800986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).