1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea

C8H12N4O — CID 130605359

IUPAC1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea
SMILESCc1ncc(NC(=O)N(C)C)cn1
InChIInChI=1S/C8H12N4O/c1-6-9-4-7(5-10-6)11-8(13)12(2)3/h4-5H,1-3H3,(H,11,13)
InChIKeyKPWGSSAWXYMDSD-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.88
Rot. Bonds1

About 1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea

1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea (PubChem CID 130605359) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea
PubChem CID130605359
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea
SMILESCc1ncc(NC(=O)N(C)C)cn1
InChIInChI=1S/C8H12N4O/c1-6-9-4-7(5-10-6)11-8(13)12(2)3/h4-5H,1-3H3,(H,11,13)
InChIKeyKPWGSSAWXYMDSD-UHFFFAOYSA-N
XLogP0.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
CID 112524244
2-hydroxy-N-(2-methylpyrimidin-5-yl)acetamide
CID 83815969
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-bromo-N-(2-methylpyrimidin-5-yl)propanamide
CID 131183260
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 89459134
2-cyano-N-(2-methylpyrimidin-5-yl)acetamide
CID 130643403
2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide
CID 119317714
2-amino-N-(2-methylpyrimidin-5-yl)butanamide
CID 83617934
3-(3-bromo-5-methylphenyl)-1,1-dimethylurea
CID 110604759
1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea
CID 20784611
ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate
CID 23823192
2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide
CID 138044558

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea (CID 130605359) is 1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea is Cc1ncc(NC(=O)N(C)C)cn1.
What is the InChIKey of 1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea?
The InChIKey is KPWGSSAWXYMDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-6-9-4-7(5-10-6)11-8(13)12(2)3/h4-5H,1-3H3,(H,11,13).
What are the key properties of 1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea?
1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea has a molecular weight of 180.21 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea is sourced from PubChem (CID 130605359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).