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

C14H16N4O2 — CID 23607566

IUPAC1-cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESO=C(Nc1cnc2ccccn2c1=O)NC1CCCC1
InChIInChI=1S/C14H16N4O2/c19-13-11(9-15-12-7-3-4-8-18(12)13)17-14(20)16-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,16,17,20)
InChIKeyFAMMZMRAIGJTLN-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.76
Rot. Bonds2

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

1-cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (PubChem CID 23607566) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
PubChem CID23607566
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESO=C(Nc1cnc2ccccn2c1=O)NC1CCCC1
InChIInChI=1S/C14H16N4O2/c19-13-11(9-15-12-7-3-4-8-18(12)13)17-14(20)16-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,16,17,20)
InChIKeyFAMMZMRAIGJTLN-UHFFFAOYSA-N
XLogP1.76
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (CID 23607566) is 1-cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is O=C(Nc1cnc2ccccn2c1=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The InChIKey is FAMMZMRAIGJTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13-11(9-15-12-7-3-4-8-18(12)13)17-14(20)16-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,16,17,20).
What are the key properties of 1-cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
1-cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea has a molecular weight of 272.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is sourced from PubChem (CID 23607566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).