(1-methyl-4-oxopyrimidin-2-yl)urea

C6H8N4O2 — CID 175720034

IUPAC(1-methyl-4-oxopyrimidin-2-yl)urea
SMILESCn1ccc(=O)nc1NC(N)=O
InChIInChI=1S/C6H8N4O2/c1-10-3-2-4(11)8-6(10)9-5(7)12/h2-3H,1H3,(H3,7,8,9,11,12)
InChIKeyGHGGLROQNRGGOZ-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.73
Rot. Bonds1

About (1-methyl-4-oxopyrimidin-2-yl)urea

(1-methyl-4-oxopyrimidin-2-yl)urea (PubChem CID 175720034) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is (1-methyl-4-oxopyrimidin-2-yl)urea.

Molecular Properties

Compound Name(1-methyl-4-oxopyrimidin-2-yl)urea
PubChem CID175720034
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name(1-methyl-4-oxopyrimidin-2-yl)urea
SMILESCn1ccc(=O)nc1NC(N)=O
InChIInChI=1S/C6H8N4O2/c1-10-3-2-4(11)8-6(10)9-5(7)12/h2-3H,1H3,(H3,7,8,9,11,12)
InChIKeyGHGGLROQNRGGOZ-UHFFFAOYSA-N
XLogP-0.73
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-oxopyrimidin-2-yl)urea?
The IUPAC name of (1-methyl-4-oxopyrimidin-2-yl)urea (CID 175720034) is (1-methyl-4-oxopyrimidin-2-yl)urea.
What is the SMILES notation for (1-methyl-4-oxopyrimidin-2-yl)urea?
The canonical SMILES for (1-methyl-4-oxopyrimidin-2-yl)urea is Cn1ccc(=O)nc1NC(N)=O.
What is the InChIKey of (1-methyl-4-oxopyrimidin-2-yl)urea?
The InChIKey is GHGGLROQNRGGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-10-3-2-4(11)8-6(10)9-5(7)12/h2-3H,1H3,(H3,7,8,9,11,12).
What are the key properties of (1-methyl-4-oxopyrimidin-2-yl)urea?
(1-methyl-4-oxopyrimidin-2-yl)urea has a molecular weight of 168.16 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-oxopyrimidin-2-yl)urea is sourced from PubChem (CID 175720034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).