ethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea

C9H16N4O2 — CID 142152113

IUPACethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCC.CNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C7H10N4O2.C2H6/c1-4-3-5(12)10-6(9-4)11-7(13)8-2;1-2/h3H,1-2H3,(H3,8,9,10,11,12,13);1-2H3
InChIKeyZDINTFOFBWJSOQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.86
Rot. Bonds1

About ethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea

ethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 142152113) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Nameethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID142152113
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Nameethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCC.CNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C7H10N4O2.C2H6/c1-4-3-5(12)10-6(9-4)11-7(13)8-2;1-2/h3H,1-2H3,(H3,8,9,10,11,12,13);1-2H3
InChIKeyZDINTFOFBWJSOQ-UHFFFAOYSA-N
XLogP0.86
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of ethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea (CID 142152113) is ethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for ethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for ethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea is CC.CNC(=O)Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of ethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is ZDINTFOFBWJSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2.C2H6/c1-4-3-5(12)10-6(9-4)11-7(13)8-2;1-2/h3H,1-2H3,(H3,8,9,10,11,12,13);1-2H3.
What are the key properties of ethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
ethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 212.25 g/mol, XLogP of 0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 142152113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).