1-(2,3-dimethyl-4-pyridinyl)-3-methylurea

C9H13N3O — CID 126993818

IUPAC1-(2,3-dimethyl-4-pyridinyl)-3-methylurea
SMILESCNC(=O)Nc1ccnc(C)c1C
InChIInChI=1S/C9H13N3O/c1-6-7(2)11-5-4-8(6)12-9(13)10-3/h4-5H,1-3H3,(H2,10,11,12,13)
InChIKeyMNQNSVYOCVQVPQ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.45
Rot. Bonds1

About 1-(2,3-dimethyl-4-pyridinyl)-3-methylurea

1-(2,3-dimethyl-4-pyridinyl)-3-methylurea (PubChem CID 126993818) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(2,3-dimethyl-4-pyridinyl)-3-methylurea.

Molecular Properties

Compound Name1-(2,3-dimethyl-4-pyridinyl)-3-methylurea
PubChem CID126993818
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(2,3-dimethyl-4-pyridinyl)-3-methylurea
SMILESCNC(=O)Nc1ccnc(C)c1C
InChIInChI=1S/C9H13N3O/c1-6-7(2)11-5-4-8(6)12-9(13)10-3/h4-5H,1-3H3,(H2,10,11,12,13)
InChIKeyMNQNSVYOCVQVPQ-UHFFFAOYSA-N
XLogP1.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethyl-4-pyridinyl)propanamide
CID 126992477
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
N-(2,3-dimethyl-4-pyridinyl)-1,3-oxazole-5-carboxamide
CID 162466543
1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea
CID 129348770
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
1-methyl-3-(4-methylthiophen-3-yl)urea
CID 131044055
1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea
CID 71323187
1-methyl-3-(5-methylpyrimidin-2-yl)urea
CID 70667568
1-[2-[4-[benzenesulfonyl(methyl)amino]piperidin-1-yl]ethyl]-3-(2,3-dimethyl-4-pyridinyl)urea
CID 68847568
2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860798
1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea
CID 2726846
1-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-4-pyridinyl)-3-methylurea?
The IUPAC name of 1-(2,3-dimethyl-4-pyridinyl)-3-methylurea (CID 126993818) is 1-(2,3-dimethyl-4-pyridinyl)-3-methylurea.
What is the SMILES notation for 1-(2,3-dimethyl-4-pyridinyl)-3-methylurea?
The canonical SMILES for 1-(2,3-dimethyl-4-pyridinyl)-3-methylurea is CNC(=O)Nc1ccnc(C)c1C.
What is the InChIKey of 1-(2,3-dimethyl-4-pyridinyl)-3-methylurea?
The InChIKey is MNQNSVYOCVQVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-7(2)11-5-4-8(6)12-9(13)10-3/h4-5H,1-3H3,(H2,10,11,12,13).
What are the key properties of 1-(2,3-dimethyl-4-pyridinyl)-3-methylurea?
1-(2,3-dimethyl-4-pyridinyl)-3-methylurea has a molecular weight of 179.22 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-4-pyridinyl)-3-methylurea is sourced from PubChem (CID 126993818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).