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

C16H13ClN4O2 — CID 71462105

IUPAC1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C16H13ClN4O2/c17-12-6-4-11(5-7-12)9-19-16(23)20-13-10-18-14-3-1-2-8-21(14)15(13)22/h1-8,10H,9H2,(H2,19,20,23)
InChIKeyPHANIBHANNYTFG-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.67
Rot. Bonds3

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

1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (PubChem CID 71462105) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
PubChem CID71462105
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C16H13ClN4O2/c17-12-6-4-11(5-7-12)9-19-16(23)20-13-10-18-14-3-1-2-8-21(14)15(13)22/h1-8,10H,9H2,(H2,19,20,23)
InChIKeyPHANIBHANNYTFG-UHFFFAOYSA-N
XLogP2.67
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]butanoic acid
CID 44782792
1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 44782767
N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)pyrazine-2-carboxamide
CID 15372135
3-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 90570011
1-[(4-chlorophenyl)methyl]-3-(2-chloro-3-pyridinyl)urea
CID 47400753
N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide
CID 44782669
1-[(4-chlorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108899241
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 6457996
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110885527
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 134057826

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (CID 71462105) is 1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is O=C(NCc1ccc(Cl)cc1)Nc1cnc2ccccn2c1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The InChIKey is PHANIBHANNYTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-12-6-4-11(5-7-12)9-19-16(23)20-13-10-18-14-3-1-2-8-21(14)15(13)22/h1-8,10H,9H2,(H2,19,20,23).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea has a molecular weight of 328.76 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is sourced from PubChem (CID 71462105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).