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

C23H26N4O2 — CID 121120599

IUPAC1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCCn1cnc(C2CCCC2)cc1=O)NCc1cccc2ccccc12
InChIInChI=1S/C23H26N4O2/c28-22-14-21(18-7-1-2-8-18)26-16-27(22)13-12-24-23(29)25-15-19-10-5-9-17-6-3-4-11-20(17)19/h3-6,9-11,14,16,18H,1-2,7-8,12-13,15H2,(H2,24,25,29)
InChIKeyZJYYRLKRQVMKSY-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.55
Rot. Bonds6

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

1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea (PubChem CID 121120599) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea
PubChem CID121120599
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCCn1cnc(C2CCCC2)cc1=O)NCc1cccc2ccccc12
InChIInChI=1S/C23H26N4O2/c28-22-14-21(18-7-1-2-8-18)26-16-27(22)13-12-24-23(29)25-15-19-10-5-9-17-6-3-4-11-20(17)19/h3-6,9-11,14,16,18H,1-2,7-8,12-13,15H2,(H2,24,25,29)
InChIKeyZJYYRLKRQVMKSY-UHFFFAOYSA-N
XLogP3.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.55
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-methylphenyl)urea
CID 121120589
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 119099509
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-naphthalen-2-yloxyacetamide
CID 121120234
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 121120140
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121120373
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide
CID 121120312
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-fluorophenyl)urea
CID 121120173
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 121120501
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121120062
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 121120319
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-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea (CID 121120599) is 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea is O=C(NCCn1cnc(C2CCCC2)cc1=O)NCc1cccc2ccccc12.
What is the InChIKey of 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is ZJYYRLKRQVMKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22-14-21(18-7-1-2-8-18)26-16-27(22)13-12-24-23(29)25-15-19-10-5-9-17-6-3-4-11-20(17)19/h3-6,9-11,14,16,18H,1-2,7-8,12-13,15H2,(H2,24,25,29).
What are the key properties of 1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea?
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 390.49 g/mol, XLogP of 3.55, 6 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-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 121120599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).