1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea

C8H12N4O2 — CID 143921327

IUPAC1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCc1cc(=O)[nH]c(NC(=O)N(C)C)n1
InChIInChI=1S/C8H12N4O2/c1-5-4-6(13)10-7(9-5)11-8(14)12(2)3/h4H,1-3H3,(H2,9,10,11,13,14)
InChIKeyUUYHGCREVSZNIQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.17
Rot. Bonds1

About 1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea

1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 143921327) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID143921327
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCc1cc(=O)[nH]c(NC(=O)N(C)C)n1
InChIInChI=1S/C8H12N4O2/c1-5-4-6(13)10-7(9-5)11-8(14)12(2)3/h4H,1-3H3,(H2,9,10,11,13,14)
InChIKeyUUYHGCREVSZNIQ-UHFFFAOYSA-N
XLogP0.17
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea (CID 143921327) is 1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea is Cc1cc(=O)[nH]c(NC(=O)N(C)C)n1.
What is the InChIKey of 1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is UUYHGCREVSZNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-4-6(13)10-7(9-5)11-8(14)12(2)3/h4H,1-3H3,(H2,9,10,11,13,14).
What are the key properties of 1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 196.21 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 143921327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).