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

C17H16N4O3 — CID 71449590

IUPAC1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESCOc1ccc(CNC(=O)Nc2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C17H16N4O3/c1-24-13-7-5-12(6-8-13)10-19-17(23)20-14-11-18-15-4-2-3-9-21(15)16(14)22/h2-9,11H,10H2,1H3,(H2,19,20,23)
InChIKeyJEOGCECZPFTDGI-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.02
Rot. Bonds4

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

1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (PubChem CID 71449590) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
PubChem CID71449590
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESCOc1ccc(CNC(=O)Nc2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C17H16N4O3/c1-24-13-7-5-12(6-8-13)10-19-17(23)20-14-11-18-15-4-2-3-9-21(15)16(14)22/h2-9,11H,10H2,1H3,(H2,19,20,23)
InChIKeyJEOGCECZPFTDGI-UHFFFAOYSA-N
XLogP2.02
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-Dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741354
2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 10848404
6-imino-N-[(4-methoxyphenyl)methyl]-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 662425
4-methoxy-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2242340
N-benzyl-2-imino-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3290280
N-cyclohexyl-6-imino-7-[(4-methoxyphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3469750
2-imino-N-[2-(4-methoxyphenyl)ethyl]-1,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3571847
N-cyclopentyl-2-imino-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3696689
N-cyclohexyl-6-imino-7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3723398
2-imino-N-(4-methoxybenzyl)-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3805646
1-cyclohexyl-2-imino-N-(4-methoxyphenethyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3835571
N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151343

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (CID 71449590) is 1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is COc1ccc(CNC(=O)Nc2cnc3ccccn3c2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The InChIKey is JEOGCECZPFTDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-24-13-7-5-12(6-8-13)10-19-17(23)20-14-11-18-15-4-2-3-9-21(15)16(14)22/h2-9,11H,10H2,1H3,(H2,19,20,23).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea has a molecular weight of 324.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is sourced from PubChem (CID 71449590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).