2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one

C17H24N4O2 — CID 45257202

IUPAC2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(CCO)n1c(=O)ccc2cnc(NC3CCCCC3)nc21
InChIInChI=1S/C17H24N4O2/c1-12(9-10-22)21-15(23)8-7-13-11-18-17(20-16(13)21)19-14-5-3-2-4-6-14/h7-8,11-12,14,22H,2-6,9-10H2,1H3,(H,18,19,20)
InChIKeyWWOJIYPDCCGHSL-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.48
Rot. Bonds5

About 2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one

2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 45257202) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID45257202
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(CCO)n1c(=O)ccc2cnc(NC3CCCCC3)nc21
InChIInChI=1S/C17H24N4O2/c1-12(9-10-22)21-15(23)8-7-13-11-18-17(20-16(13)21)19-14-5-3-2-4-6-14/h7-8,11-12,14,22H,2-6,9-10H2,1H3,(H,18,19,20)
InChIKeyWWOJIYPDCCGHSL-UHFFFAOYSA-N
XLogP2.48
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 45257202) is 2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one is CC(CCO)n1c(=O)ccc2cnc(NC3CCCCC3)nc21.
What is the InChIKey of 2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WWOJIYPDCCGHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(9-10-22)21-15(23)8-7-13-11-18-17(20-16(13)21)19-14-5-3-2-4-6-14/h7-8,11-12,14,22H,2-6,9-10H2,1H3,(H,18,19,20).
What are the key properties of 2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one?
2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 316.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 45257202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).