1-(4,5-dimethyl-2-pyridinyl)-3-methylurea

C9H13N3O — CID 177139787

IUPAC1-(4,5-dimethyl-2-pyridinyl)-3-methylurea
SMILESCNC(=O)Nc1cc(C)c(C)cn1
InChIInChI=1S/C9H13N3O/c1-6-4-8(11-5-7(6)2)12-9(13)10-3/h4-5H,1-3H3,(H2,10,11,12,13)
InChIKeyCENIIARLTUMLBB-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.45
Rot. Bonds1

About 1-(4,5-dimethyl-2-pyridinyl)-3-methylurea

1-(4,5-dimethyl-2-pyridinyl)-3-methylurea (PubChem CID 177139787) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(4,5-dimethyl-2-pyridinyl)-3-methylurea.

Molecular Properties

Compound Name1-(4,5-dimethyl-2-pyridinyl)-3-methylurea
PubChem CID177139787
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(4,5-dimethyl-2-pyridinyl)-3-methylurea
SMILESCNC(=O)Nc1cc(C)c(C)cn1
InChIInChI=1S/C9H13N3O/c1-6-4-8(11-5-7(6)2)12-9(13)10-3/h4-5H,1-3H3,(H2,10,11,12,13)
InChIKeyCENIIARLTUMLBB-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

tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea
CID 166410481
1-methyl-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 104620558
1-methyl-3-(5-methylpyrimidin-2-yl)urea
CID 70667568
N-(5-amino-4-methyl-2-pyridinyl)acetamide
CID 22063573
N-(4-amino-5-methyl-2-pyridinyl)acetamide
CID 66747868
N-(5-methyl-4-trimethylstannyl-2-pyridinyl)acetamide
CID 66747865
1-(5-bromo-4-methyl-2-pyridinyl)-3-(2-chloroethyl)urea
CID 121473135
1-(8-chloro-7-fluoro-6-iodoisoquinolin-3-yl)-3-methylurea
CID 135343568
1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea
CID 115168877
1-methyl-3-(1,2,5-thiadiazol-3-yl)urea
CID 5164106
1-[5-bromo-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea
CID 155511256

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-2-pyridinyl)-3-methylurea?
The IUPAC name of 1-(4,5-dimethyl-2-pyridinyl)-3-methylurea (CID 177139787) is 1-(4,5-dimethyl-2-pyridinyl)-3-methylurea.
What is the SMILES notation for 1-(4,5-dimethyl-2-pyridinyl)-3-methylurea?
The canonical SMILES for 1-(4,5-dimethyl-2-pyridinyl)-3-methylurea is CNC(=O)Nc1cc(C)c(C)cn1.
What is the InChIKey of 1-(4,5-dimethyl-2-pyridinyl)-3-methylurea?
The InChIKey is CENIIARLTUMLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-4-8(11-5-7(6)2)12-9(13)10-3/h4-5H,1-3H3,(H2,10,11,12,13).
What are the key properties of 1-(4,5-dimethyl-2-pyridinyl)-3-methylurea?
1-(4,5-dimethyl-2-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-(4,5-dimethyl-2-pyridinyl)-3-methylurea is sourced from PubChem (CID 177139787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).