2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

C15H20N4O2 — CID 59258910

IUPAC2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOC1CCC(n2c(=O)ccc3c(C)nc(N)nc32)CC1
InChIInChI=1S/C15H20N4O2/c1-9-12-7-8-13(20)19(14(12)18-15(16)17-9)10-3-5-11(21-2)6-4-10/h7-8,10-11H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyXOHDBFPYRPZVCG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.81
Rot. Bonds2

About 2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258910) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59258910
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOC1CCC(n2c(=O)ccc3c(C)nc(N)nc32)CC1
InChIInChI=1S/C15H20N4O2/c1-9-12-7-8-13(20)19(14(12)18-15(16)17-9)10-3-5-11(21-2)6-4-10/h7-8,10-11H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyXOHDBFPYRPZVCG-UHFFFAOYSA-N
XLogP1.81
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 59258910) is 2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is COC1CCC(n2c(=O)ccc3c(C)nc(N)nc32)CC1.
What is the InChIKey of 2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XOHDBFPYRPZVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-12-7-8-13(20)19(14(12)18-15(16)17-9)10-3-5-11(21-2)6-4-10/h7-8,10-11H,3-6H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 288.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).