1,3-dimethyl-1-pyrimidin-2-ylurea

C7H10N4O — CID 166732350

IUPAC1,3-dimethyl-1-pyrimidin-2-ylurea
SMILESCNC(=O)N(C)c1ncccn1
InChIInChI=1S/C7H10N4O/c1-8-7(12)11(2)6-9-4-3-5-10-6/h3-5H,1-2H3,(H,8,12)
InChIKeyBWXXTGKWXRQFBV-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.25
Rot. Bonds1

About 1,3-dimethyl-1-pyrimidin-2-ylurea

1,3-dimethyl-1-pyrimidin-2-ylurea (PubChem CID 166732350) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1,3-dimethyl-1-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1,3-dimethyl-1-pyrimidin-2-ylurea
PubChem CID166732350
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1,3-dimethyl-1-pyrimidin-2-ylurea
SMILESCNC(=O)N(C)c1ncccn1
InChIInChI=1S/C7H10N4O/c1-8-7(12)11(2)6-9-4-3-5-10-6/h3-5H,1-2H3,(H,8,12)
InChIKeyBWXXTGKWXRQFBV-UHFFFAOYSA-N
XLogP0.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea
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1,3-dimethyl-1-thiophen-2-ylurea
CID 115168951
benzene;ethane;1,1,3-trimethylurea
CID 91245695
1-(4-hydroxyphenyl)-1,3-dimethylurea
CID 115281222
1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea
CID 115169018
1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea
CID 115169017
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
3-amino-1-(2-amino-3-pyridinyl)-1-methylurea
CID 3330766
N,2,4,6-tetramethyl-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 139019302
1-methyl-3-propyl-1-pyridin-2-ylurea
CID 116653987
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-pyrimidin-2-ylurea?
The IUPAC name of 1,3-dimethyl-1-pyrimidin-2-ylurea (CID 166732350) is 1,3-dimethyl-1-pyrimidin-2-ylurea.
What is the SMILES notation for 1,3-dimethyl-1-pyrimidin-2-ylurea?
The canonical SMILES for 1,3-dimethyl-1-pyrimidin-2-ylurea is CNC(=O)N(C)c1ncccn1.
What is the InChIKey of 1,3-dimethyl-1-pyrimidin-2-ylurea?
The InChIKey is BWXXTGKWXRQFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-8-7(12)11(2)6-9-4-3-5-10-6/h3-5H,1-2H3,(H,8,12).
What are the key properties of 1,3-dimethyl-1-pyrimidin-2-ylurea?
1,3-dimethyl-1-pyrimidin-2-ylurea has a molecular weight of 166.18 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-pyrimidin-2-ylurea is sourced from PubChem (CID 166732350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).