1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea

C18H22N4O4 — CID 121120208

IUPAC1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NCCn2cnc(C3CC3)cc2=O)c1
InChIInChI=1S/C18H22N4O4/c1-25-13-5-6-16(26-2)15(9-13)21-18(24)19-7-8-22-11-20-14(10-17(22)23)12-3-4-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,19,21,24)
InChIKeyFCHQLVWDERQWHC-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.96
Rot. Bonds7

About 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea

1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea (PubChem CID 121120208) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea
PubChem CID121120208
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NCCn2cnc(C3CC3)cc2=O)c1
InChIInChI=1S/C18H22N4O4/c1-25-13-5-6-16(26-2)15(9-13)21-18(24)19-7-8-22-11-20-14(10-17(22)23)12-3-4-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,19,21,24)
InChIKeyFCHQLVWDERQWHC-UHFFFAOYSA-N
XLogP1.96
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121119485
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121120574
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 121120244
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121120160
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-fluorophenyl)urea
CID 121120173
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121120589
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121120033
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121120062
1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948397
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide
CID 121119981
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119099491
1-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121139465

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea (CID 121120208) is 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea is COc1ccc(OC)c(NC(=O)NCCn2cnc(C3CC3)cc2=O)c1.
What is the InChIKey of 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea?
The InChIKey is FCHQLVWDERQWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-25-13-5-6-16(26-2)15(9-13)21-18(24)19-7-8-22-11-20-14(10-17(22)23)12-3-4-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,19,21,24).
What are the key properties of 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea?
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea has a molecular weight of 358.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 121120208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).