(6-oxo-4-propyl-1H-pyrimidin-2-yl)urea

C8H12N4O2 — CID 165347816

IUPAC(6-oxo-4-propyl-1H-pyrimidin-2-yl)urea
SMILESCCCc1cc(=O)[nH]c(NC(N)=O)n1
InChIInChI=1S/C8H12N4O2/c1-2-3-5-4-6(13)11-8(10-5)12-7(9)14/h4H,2-3H2,1H3,(H4,9,10,11,12,13,14)
InChIKeyNLPGEWCPDAYTGV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.21
Rot. Bonds3

About (6-oxo-4-propyl-1H-pyrimidin-2-yl)urea

(6-oxo-4-propyl-1H-pyrimidin-2-yl)urea (PubChem CID 165347816) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is (6-oxo-4-propyl-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name(6-oxo-4-propyl-1H-pyrimidin-2-yl)urea
PubChem CID165347816
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name(6-oxo-4-propyl-1H-pyrimidin-2-yl)urea
SMILESCCCc1cc(=O)[nH]c(NC(N)=O)n1
InChIInChI=1S/C8H12N4O2/c1-2-3-5-4-6(13)11-8(10-5)12-7(9)14/h4H,2-3H2,1H3,(H4,9,10,11,12,13,14)
InChIKeyNLPGEWCPDAYTGV-UHFFFAOYSA-N
XLogP0.21
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-4-propyl-1H-pyrimidin-2-yl)urea?
The IUPAC name of (6-oxo-4-propyl-1H-pyrimidin-2-yl)urea (CID 165347816) is (6-oxo-4-propyl-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for (6-oxo-4-propyl-1H-pyrimidin-2-yl)urea?
The canonical SMILES for (6-oxo-4-propyl-1H-pyrimidin-2-yl)urea is CCCc1cc(=O)[nH]c(NC(N)=O)n1.
What is the InChIKey of (6-oxo-4-propyl-1H-pyrimidin-2-yl)urea?
The InChIKey is NLPGEWCPDAYTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-3-5-4-6(13)11-8(10-5)12-7(9)14/h4H,2-3H2,1H3,(H4,9,10,11,12,13,14).
What are the key properties of (6-oxo-4-propyl-1H-pyrimidin-2-yl)urea?
(6-oxo-4-propyl-1H-pyrimidin-2-yl)urea has a molecular weight of 196.21 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-4-propyl-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 165347816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).