1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea

C8H10ClN3O — CID 20827630

IUPAC1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea
SMILESCNC(=O)Nc1ncc(C)cc1Cl
InChIInChI=1S/C8H10ClN3O/c1-5-3-6(9)7(11-4-5)12-8(13)10-2/h3-4H,1-2H3,(H2,10,11,12,13)
InChIKeyBVSZNGOJBKGZPP-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.79
Rot. Bonds1

About 1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea

1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea (PubChem CID 20827630) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea.

Molecular Properties

Compound Name1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea
PubChem CID20827630
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea
SMILESCNC(=O)Nc1ncc(C)cc1Cl
InChIInChI=1S/C8H10ClN3O/c1-5-3-6(9)7(11-4-5)12-8(13)10-2/h3-4H,1-2H3,(H2,10,11,12,13)
InChIKeyBVSZNGOJBKGZPP-UHFFFAOYSA-N
XLogP1.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea
CID 127009526
1-methyl-3-(5-methylpyrimidin-2-yl)urea
CID 70667568
1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea
CID 90403490
1-(3,5-dichloro-2-pyridinyl)-3-phenylurea
CID 27161092
1-(3-bromo-5-methylphenyl)-3-methylurea
CID 104938547
S-methyl N-(3,5-dichloro-2-pyridinyl)carbamothioate
CID 87838372
ethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate
CID 139292576
1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea
CID 12904737
1-(4,5-dimethyl-2-pyridinyl)-3-methylurea
CID 177139787
N-[3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-2-pyridinyl]acetamide
CID 171677285
3,6-dichloro-N-[5-methyl-2-(methylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 129130468
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea?
The IUPAC name of 1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea (CID 20827630) is 1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea.
What is the SMILES notation for 1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea?
The canonical SMILES for 1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea is CNC(=O)Nc1ncc(C)cc1Cl.
What is the InChIKey of 1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea?
The InChIKey is BVSZNGOJBKGZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-5-3-6(9)7(11-4-5)12-8(13)10-2/h3-4H,1-2H3,(H2,10,11,12,13).
What are the key properties of 1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea?
1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea has a molecular weight of 199.64 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea is sourced from PubChem (CID 20827630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).