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

C16H22N4O2 — CID 46188425

IUPAC2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NC3CCCCC3)nc2n1CCCO
InChIInChI=1S/C16H22N4O2/c21-10-4-9-20-14(22)8-7-12-11-17-16(19-15(12)20)18-13-5-2-1-3-6-13/h7-8,11,13,21H,1-6,9-10H2,(H,17,18,19)
InChIKeyCKJZBJUGKVIOAS-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.92
Rot. Bonds5

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

2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 46188425) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID46188425
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NC3CCCCC3)nc2n1CCCO
InChIInChI=1S/C16H22N4O2/c21-10-4-9-20-14(22)8-7-12-11-17-16(19-15(12)20)18-13-5-2-1-3-6-13/h7-8,11,13,21H,1-6,9-10H2,(H,17,18,19)
InChIKeyCKJZBJUGKVIOAS-UHFFFAOYSA-N
XLogP1.92
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one (CID 46188425) is 2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(NC3CCCCC3)nc2n1CCCO.
What is the InChIKey of 2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CKJZBJUGKVIOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-10-4-9-20-14(22)8-7-12-11-17-16(19-15(12)20)18-13-5-2-1-3-6-13/h7-8,11,13,21H,1-6,9-10H2,(H,17,18,19).
What are the key properties of 2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one?
2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 302.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 46188425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).