1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea

C13H20N4O2 — CID 72717230

IUPAC1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1cncn(CCNC(=O)NC2CCCC2)c1=O
InChIInChI=1S/C13H20N4O2/c1-10-8-14-9-17(12(10)18)7-6-15-13(19)16-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H2,15,16,19)
InChIKeyMOXYDTSLJOKNBW-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.79
Rot. Bonds4

About 1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea

1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea (PubChem CID 72717230) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
PubChem CID72717230
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1cncn(CCNC(=O)NC2CCCC2)c1=O
InChIInChI=1S/C13H20N4O2/c1-10-8-14-9-17(12(10)18)7-6-15-13(19)16-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H2,15,16,19)
InChIKeyMOXYDTSLJOKNBW-UHFFFAOYSA-N
XLogP0.79
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea (CID 72717230) is 1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea is Cc1cncn(CCNC(=O)NC2CCCC2)c1=O.
What is the InChIKey of 1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The InChIKey is MOXYDTSLJOKNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-8-14-9-17(12(10)18)7-6-15-13(19)16-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H2,15,16,19).
What are the key properties of 1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea has a molecular weight of 264.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea is sourced from PubChem (CID 72717230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).