(2-methyl-6-oxo-1H-pyrimidin-5-yl)urea

C6H8N4O2 — CID 150133998

IUPAC(2-methyl-6-oxo-1H-pyrimidin-5-yl)urea
SMILESCc1ncc(NC(N)=O)c(=O)[nH]1
InChIInChI=1S/C6H8N4O2/c1-3-8-2-4(5(11)9-3)10-6(7)12/h2H,1H3,(H3,7,10,12)(H,8,9,11)
InChIKeyFBVQXLYANSEKSZ-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.43
Rot. Bonds1

About (2-methyl-6-oxo-1H-pyrimidin-5-yl)urea

(2-methyl-6-oxo-1H-pyrimidin-5-yl)urea (PubChem CID 150133998) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is (2-methyl-6-oxo-1H-pyrimidin-5-yl)urea.

Molecular Properties

Compound Name(2-methyl-6-oxo-1H-pyrimidin-5-yl)urea
PubChem CID150133998
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name(2-methyl-6-oxo-1H-pyrimidin-5-yl)urea
SMILESCc1ncc(NC(N)=O)c(=O)[nH]1
InChIInChI=1S/C6H8N4O2/c1-3-8-2-4(5(11)9-3)10-6(7)12/h2H,1H3,(H3,7,10,12)(H,8,9,11)
InChIKeyFBVQXLYANSEKSZ-UHFFFAOYSA-N
XLogP-0.43
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-oxo-1H-pyrimidin-5-yl)urea?
The IUPAC name of (2-methyl-6-oxo-1H-pyrimidin-5-yl)urea (CID 150133998) is (2-methyl-6-oxo-1H-pyrimidin-5-yl)urea.
What is the SMILES notation for (2-methyl-6-oxo-1H-pyrimidin-5-yl)urea?
The canonical SMILES for (2-methyl-6-oxo-1H-pyrimidin-5-yl)urea is Cc1ncc(NC(N)=O)c(=O)[nH]1.
What is the InChIKey of (2-methyl-6-oxo-1H-pyrimidin-5-yl)urea?
The InChIKey is FBVQXLYANSEKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-3-8-2-4(5(11)9-3)10-6(7)12/h2H,1H3,(H3,7,10,12)(H,8,9,11).
What are the key properties of (2-methyl-6-oxo-1H-pyrimidin-5-yl)urea?
(2-methyl-6-oxo-1H-pyrimidin-5-yl)urea has a molecular weight of 168.16 g/mol, XLogP of -0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-oxo-1H-pyrimidin-5-yl)urea is sourced from PubChem (CID 150133998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).