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

C15H19BrN4O — CID 70305082

IUPAC2-amino-6-bromo-4-methyl-8-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2C1CCC(C)CC1
InChIInChI=1S/C15H19BrN4O/c1-8-3-5-10(6-4-8)20-13-11(7-12(16)14(20)21)9(2)18-15(17)19-13/h7-8,10H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyMVNIAISYIIYVOX-UHFFFAOYSA-N
MW351.25 g/mol
LogP3.20
Rot. Bonds1

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

2-amino-6-bromo-4-methyl-8-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70305082) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 2-amino-6-bromo-4-methyl-8-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-bromo-4-methyl-8-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70305082
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name2-amino-6-bromo-4-methyl-8-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2C1CCC(C)CC1
InChIInChI=1S/C15H19BrN4O/c1-8-3-5-10(6-4-8)20-13-11(7-12(16)14(20)21)9(2)18-15(17)19-13/h7-8,10H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyMVNIAISYIIYVOX-UHFFFAOYSA-N
XLogP3.20
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-4-methyl-8-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-bromo-4-methyl-8-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one (CID 70305082) is 2-amino-6-bromo-4-methyl-8-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-bromo-4-methyl-8-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-bromo-4-methyl-8-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(Br)c(=O)n2C1CCC(C)CC1.
What is the InChIKey of 2-amino-6-bromo-4-methyl-8-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MVNIAISYIIYVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-8-3-5-10(6-4-8)20-13-11(7-12(16)14(20)21)9(2)18-15(17)19-13/h7-8,10H,3-6H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-amino-6-bromo-4-methyl-8-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-bromo-4-methyl-8-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 351.25 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-4-methyl-8-(4-methylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70305082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).