3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide

C10H14ClN3O — CID 62728825

IUPAC3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide
SMILESCc1cc(C)nc(NC(=O)C(C)CCl)n1
InChIInChI=1S/C10H14ClN3O/c1-6(5-11)9(15)14-10-12-7(2)4-8(3)13-10/h4,6H,5H2,1-3H3,(H,12,13,14,15)
InChIKeyQUBQYDWDMQELKD-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.91
Rot. Bonds3

About 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide

3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide (PubChem CID 62728825) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide
PubChem CID62728825
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide
SMILESCc1cc(C)nc(NC(=O)C(C)CCl)n1
InChIInChI=1S/C10H14ClN3O/c1-6(5-11)9(15)14-10-12-7(2)4-8(3)13-10/h4,6H,5H2,1-3H3,(H,12,13,14,15)
InChIKeyQUBQYDWDMQELKD-UHFFFAOYSA-N
XLogP1.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 61148022
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide
CID 61148025
2-amino-N-(4,6-dimethylpyrimidin-2-yl)hexanamide
CID 113224306
N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
CID 62728455
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158
ethyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537652
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide
CID 63463204
3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 116813108
1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 43395852

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide?
The IUPAC name of 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide (CID 62728825) is 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide is Cc1cc(C)nc(NC(=O)C(C)CCl)n1.
What is the InChIKey of 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide?
The InChIKey is QUBQYDWDMQELKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6(5-11)9(15)14-10-12-7(2)4-8(3)13-10/h4,6H,5H2,1-3H3,(H,12,13,14,15).
What are the key properties of 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide?
3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide has a molecular weight of 227.69 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 62728825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).