2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one

C12H13BrN4O2 — CID 59272731

IUPAC2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2[C@@H]1CCOC1
InChIInChI=1S/C12H13BrN4O2/c1-6-8-4-9(13)11(18)17(7-2-3-19-5-7)10(8)16-12(14)15-6/h4,7H,2-3,5H2,1H3,(H2,14,15,16)/t7-/m1/s1
InChIKeyGJKWUYAAJQCNPY-SSDOTTSWSA-N
MW325.17 g/mol
LogP1.41
Rot. Bonds1

About 2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one

2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59272731) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID59272731
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2[C@@H]1CCOC1
InChIInChI=1S/C12H13BrN4O2/c1-6-8-4-9(13)11(18)17(7-2-3-19-5-7)10(8)16-12(14)15-6/h4,7H,2-3,5H2,1H3,(H2,14,15,16)/t7-/m1/s1
InChIKeyGJKWUYAAJQCNPY-SSDOTTSWSA-N
XLogP1.41
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one (CID 59272731) is 2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(Br)c(=O)n2[C@@H]1CCOC1.
What is the InChIKey of 2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GJKWUYAAJQCNPY-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-6-8-4-9(13)11(18)17(7-2-3-19-5-7)10(8)16-12(14)15-6/h4,7H,2-3,5H2,1H3,(H2,14,15,16)/t7-/m1/s1.
What are the key properties of 2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 325.17 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59272731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).