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

C12H18N4O2 — CID 121121672

IUPAC1-cyclopentyl-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
SMILESO=C(NCCn1cnccc1=O)NC1CCCC1
InChIInChI=1S/C12H18N4O2/c17-11-5-6-13-9-16(11)8-7-14-12(18)15-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H2,14,15,18)
InChIKeyNCNCMQCJYSJSJV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.49
Rot. Bonds4

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

1-cyclopentyl-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea (PubChem CID 121121672) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
PubChem CID121121672
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-cyclopentyl-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
SMILESO=C(NCCn1cnccc1=O)NC1CCCC1
InChIInChI=1S/C12H18N4O2/c17-11-5-6-13-9-16(11)8-7-14-12(18)15-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H2,14,15,18)
InChIKeyNCNCMQCJYSJSJV-UHFFFAOYSA-N
XLogP0.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.49
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-(6-oxopyrimidin-1-yl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea (CID 121121672) is 1-cyclopentyl-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea is O=C(NCCn1cnccc1=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
The InChIKey is NCNCMQCJYSJSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-11-5-6-13-9-16(11)8-7-14-12(18)15-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H2,14,15,18).
What are the key properties of 1-cyclopentyl-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
1-cyclopentyl-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea has a molecular weight of 250.30 g/mol, XLogP of 0.49, 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-(6-oxopyrimidin-1-yl)ethyl]urea is sourced from PubChem (CID 121121672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).