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

C14H15BrN4O2 — CID 59258999

IUPAC2-amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2C1CCC(=O)CC1
InChIInChI=1S/C14H15BrN4O2/c1-7-10-6-11(15)13(21)19(12(10)18-14(16)17-7)8-2-4-9(20)5-3-8/h6,8H,2-5H2,1H3,(H2,16,17,18)
InChIKeyCHCLWNGLKZUDQB-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.13
Rot. Bonds1

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

2-amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258999) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258999
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name2-amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2C1CCC(=O)CC1
InChIInChI=1S/C14H15BrN4O2/c1-7-10-6-11(15)13(21)19(12(10)18-14(16)17-7)8-2-4-9(20)5-3-8/h6,8H,2-5H2,1H3,(H2,16,17,18)
InChIKeyCHCLWNGLKZUDQB-UHFFFAOYSA-N
XLogP2.13
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.13
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-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one (CID 59258999) is 2-amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(Br)c(=O)n2C1CCC(=O)CC1.
What is the InChIKey of 2-amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CHCLWNGLKZUDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-7-10-6-11(15)13(21)19(12(10)18-14(16)17-7)8-2-4-9(20)5-3-8/h6,8H,2-5H2,1H3,(H2,16,17,18).
What are the key properties of 2-amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 351.20 g/mol, XLogP of 2.13, 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-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).