1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea

C6H8N4O2 — CID 20768390

IUPAC1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea
SMILESCNC(=O)Nc1nccc(=O)[nH]1
InChIInChI=1S/C6H8N4O2/c1-7-6(12)10-5-8-3-2-4(11)9-5/h2-3H,1H3,(H3,7,8,9,10,11,12)
InChIKeyIRHOMPYIBNEWEL-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.48
Rot. Bonds1

About 1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea

1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 20768390) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID20768390
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea
SMILESCNC(=O)Nc1nccc(=O)[nH]1
InChIInChI=1S/C6H8N4O2/c1-7-6(12)10-5-8-3-2-4(11)9-5/h2-3H,1H3,(H3,7,8,9,10,11,12)
InChIKeyIRHOMPYIBNEWEL-UHFFFAOYSA-N
XLogP-0.48
TPSA86.88 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 ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of 1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea (CID 20768390) is 1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for 1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for 1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea is CNC(=O)Nc1nccc(=O)[nH]1.
What is the InChIKey of 1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is IRHOMPYIBNEWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-7-6(12)10-5-8-3-2-4(11)9-5/h2-3H,1H3,(H3,7,8,9,10,11,12).
What are the key properties of 1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea?
1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 168.16 g/mol, XLogP of -0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 20768390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).