1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea

C19H24N4O3 — CID 121120574

IUPAC1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCn1cnc(C2CCCC2)cc1=O
InChIInChI=1S/C19H24N4O3/c1-26-17-9-5-4-8-15(17)22-19(25)20-10-11-23-13-21-16(12-18(23)24)14-6-2-3-7-14/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H2,20,22,25)
InChIKeyHSBZWXTYKFWJPU-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.73
Rot. Bonds6

About 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea

1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea (PubChem CID 121120574) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea
PubChem CID121120574
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCn1cnc(C2CCCC2)cc1=O
InChIInChI=1S/C19H24N4O3/c1-26-17-9-5-4-8-15(17)22-19(25)20-10-11-23-13-21-16(12-18(23)24)14-6-2-3-7-14/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H2,20,22,25)
InChIKeyHSBZWXTYKFWJPU-UHFFFAOYSA-N
XLogP2.73
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121120589
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea
CID 121120208
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-fluorophenyl)urea
CID 121120173
1-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121139465
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 121120244
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea
CID 121120599
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121120160
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121120062
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide
CID 71795178
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide
CID 121120312
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 121120234
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121120412

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea (CID 121120574) is 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCCn1cnc(C2CCCC2)cc1=O.
What is the InChIKey of 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea?
The InChIKey is HSBZWXTYKFWJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-26-17-9-5-4-8-15(17)22-19(25)20-10-11-23-13-21-16(12-18(23)24)14-6-2-3-7-14/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H2,20,22,25).
What are the key properties of 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea?
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea has a molecular weight of 356.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 121120574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).