1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea

C15H18N4O2 — CID 44782767

IUPAC1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESO=C(Nc1cnc2ccccn2c1=O)NC1CCCCC1
InChIInChI=1S/C15H18N4O2/c20-14-12(10-16-13-8-4-5-9-19(13)14)18-15(21)17-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H2,17,18,21)
InChIKeyPJEVPGRTVHJZOB-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.15
Rot. Bonds2

About 1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea

1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (PubChem CID 44782767) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
PubChem CID44782767
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESO=C(Nc1cnc2ccccn2c1=O)NC1CCCCC1
InChIInChI=1S/C15H18N4O2/c20-14-12(10-16-13-8-4-5-9-19(13)14)18-15(21)17-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H2,17,18,21)
InChIKeyPJEVPGRTVHJZOB-UHFFFAOYSA-N
XLogP2.15
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (CID 44782767) is 1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is O=C(Nc1cnc2ccccn2c1=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The InChIKey is PJEVPGRTVHJZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14-12(10-16-13-8-4-5-9-19(13)14)18-15(21)17-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H2,17,18,21).
What are the key properties of 1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea has a molecular weight of 286.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is sourced from PubChem (CID 44782767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).