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

C19H24N4O2 — CID 121120589

IUPAC1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCn1cnc(C2CCCC2)cc1=O
InChIInChI=1S/C19H24N4O2/c1-14-6-2-5-9-16(14)22-19(25)20-10-11-23-13-21-17(12-18(23)24)15-7-3-4-8-15/h2,5-6,9,12-13,15H,3-4,7-8,10-11H2,1H3,(H2,20,22,25)
InChIKeyQUIJDERXLZNWON-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.03
Rot. Bonds5

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

1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea (PubChem CID 121120589) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
PubChem CID121120589
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCn1cnc(C2CCCC2)cc1=O
InChIInChI=1S/C19H24N4O2/c1-14-6-2-5-9-16(14)22-19(25)20-10-11-23-13-21-17(12-18(23)24)15-7-3-4-8-15/h2,5-6,9,12-13,15H,3-4,7-8,10-11H2,1H3,(H2,20,22,25)
InChIKeyQUIJDERXLZNWON-UHFFFAOYSA-N
XLogP3.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121120574
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-fluorophenyl)urea
CID 121120173
1-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121119862
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121120160
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea
CID 121120599
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide
CID 71795178
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121120062
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea
CID 121120208
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide
CID 121120312
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 121120501
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121120412
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 121120234

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea (CID 121120589) is 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NCCn1cnc(C2CCCC2)cc1=O.
What is the InChIKey of 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea?
The InChIKey is QUIJDERXLZNWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-6-2-5-9-16(14)22-19(25)20-10-11-23-13-21-17(12-18(23)24)15-7-3-4-8-15/h2,5-6,9,12-13,15H,3-4,7-8,10-11H2,1H3,(H2,20,22,25).
What are the key properties of 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea?
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea has a molecular weight of 340.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 121120589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).