(4,6-dimethylpyrimidin-1-ium-2-yl)urea

C7H11N4O+ — CID 4746452

IUPAC(4,6-dimethylpyrimidin-1-ium-2-yl)urea
SMILESCc1cc(C)[nH+]c(NC(N)=O)n1
InChIInChI=1S/C7H10N4O/c1-4-3-5(2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)/p+1
InChIKeyHPESIEMQOWLZRA-UHFFFAOYSA-O
MW167.19 g/mol
LogP0.00
Rot. Bonds1

About (4,6-dimethylpyrimidin-1-ium-2-yl)urea

(4,6-dimethylpyrimidin-1-ium-2-yl)urea (PubChem CID 4746452) has the molecular formula C7H11N4O+ and a molecular weight of 167.19 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-1-ium-2-yl)urea.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-1-ium-2-yl)urea
PubChem CID4746452
Molecular FormulaC7H11N4O+
Molecular Weight167.19 g/mol
Exact Mass167.09
IUPAC Name(4,6-dimethylpyrimidin-1-ium-2-yl)urea
SMILESCc1cc(C)[nH+]c(NC(N)=O)n1
InChIInChI=1S/C7H10N4O/c1-4-3-5(2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)/p+1
InChIKeyHPESIEMQOWLZRA-UHFFFAOYSA-O
XLogP0.00
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-1-ium-2-yl)urea?
The IUPAC name of (4,6-dimethylpyrimidin-1-ium-2-yl)urea (CID 4746452) is (4,6-dimethylpyrimidin-1-ium-2-yl)urea.
What is the SMILES notation for (4,6-dimethylpyrimidin-1-ium-2-yl)urea?
The canonical SMILES for (4,6-dimethylpyrimidin-1-ium-2-yl)urea is Cc1cc(C)[nH+]c(NC(N)=O)n1.
What is the InChIKey of (4,6-dimethylpyrimidin-1-ium-2-yl)urea?
The InChIKey is HPESIEMQOWLZRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N4O/c1-4-3-5(2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)/p+1.
What are the key properties of (4,6-dimethylpyrimidin-1-ium-2-yl)urea?
(4,6-dimethylpyrimidin-1-ium-2-yl)urea has a molecular weight of 167.19 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethylpyrimidin-1-ium-2-yl)urea is sourced from PubChem (CID 4746452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).