2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one

C15H20N4O — CID 5330203

IUPAC2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(NC3CCCCC3)nc21
InChIInChI=1S/C15H20N4O/c1-2-19-13(20)9-8-11-10-16-15(18-14(11)19)17-12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,16,17,18)
InChIKeyZYRWBFDCUJXOGH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.56
Rot. Bonds3

About 2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one

2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330203) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330203
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(NC3CCCCC3)nc21
InChIInChI=1S/C15H20N4O/c1-2-19-13(20)9-8-11-10-16-15(18-14(11)19)17-12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,16,17,18)
InChIKeyZYRWBFDCUJXOGH-UHFFFAOYSA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 5330203) is 2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(NC3CCCCC3)nc21.
What is the InChIKey of 2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZYRWBFDCUJXOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-19-13(20)9-8-11-10-16-15(18-14(11)19)17-12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,16,17,18).
What are the key properties of 2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 272.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).