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

C13H15BrN4O2 — CID 59259006

IUPAC2-amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2CC1CCOC1
InChIInChI=1S/C13H15BrN4O2/c1-7-9-4-10(14)12(19)18(5-8-2-3-20-6-8)11(9)17-13(15)16-7/h4,8H,2-3,5-6H2,1H3,(H2,15,16,17)
InChIKeyMBLMPAHYNYQKNU-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.48
Rot. Bonds2

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

2-amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59259006) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59259006
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name2-amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2CC1CCOC1
InChIInChI=1S/C13H15BrN4O2/c1-7-9-4-10(14)12(19)18(5-8-2-3-20-6-8)11(9)17-13(15)16-7/h4,8H,2-3,5-6H2,1H3,(H2,15,16,17)
InChIKeyMBLMPAHYNYQKNU-UHFFFAOYSA-N
XLogP1.48
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 59259006) is 2-amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(Br)c(=O)n2CC1CCOC1.
What is the InChIKey of 2-amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MBLMPAHYNYQKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-7-9-4-10(14)12(19)18(5-8-2-3-20-6-8)11(9)17-13(15)16-7/h4,8H,2-3,5-6H2,1H3,(H2,15,16,17).
What are the key properties of 2-amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 339.19 g/mol, XLogP of 1.48, 2 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-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59259006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).