2-amino-6-bromo-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one

C14H17BrN4O — CID 70302786

IUPAC2-amino-6-bromo-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2C1CCCCC1
InChIInChI=1S/C14H17BrN4O/c1-8-10-7-11(15)13(20)19(9-5-3-2-4-6-9)12(10)18-14(16)17-8/h7,9H,2-6H2,1H3,(H2,16,17,18)
InChIKeyCELYOCIAROPENN-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.95
Rot. Bonds1

About 2-amino-6-bromo-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-6-bromo-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 70302786) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-amino-6-bromo-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-bromo-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID70302786
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-amino-6-bromo-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2C1CCCCC1
InChIInChI=1S/C14H17BrN4O/c1-8-10-7-11(15)13(20)19(9-5-3-2-4-6-9)12(10)18-14(16)17-8/h7,9H,2-6H2,1H3,(H2,16,17,18)
InChIKeyCELYOCIAROPENN-UHFFFAOYSA-N
XLogP2.95
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.95
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-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-bromo-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 70302786) is 2-amino-6-bromo-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-bromo-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-bromo-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(Br)c(=O)n2C1CCCCC1.
What is the InChIKey of 2-amino-6-bromo-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CELYOCIAROPENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-8-10-7-11(15)13(20)19(9-5-3-2-4-6-9)12(10)18-14(16)17-8/h7,9H,2-6H2,1H3,(H2,16,17,18).
What are the key properties of 2-amino-6-bromo-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-bromo-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 337.22 g/mol, XLogP of 2.95, 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-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70302786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).