2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide

C8H10ClN3O — CID 166416285

IUPAC2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide
SMILESCc1ccnc(CNC(=O)CCl)n1
InChIInChI=1S/C8H10ClN3O/c1-6-2-3-10-7(12-6)5-11-8(13)4-9/h2-3H,4-5H2,1H3,(H,11,13)
InChIKeyQWDVZZIAHMMAHS-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.64
Rot. Bonds3

About 2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide

2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide (PubChem CID 166416285) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide
PubChem CID166416285
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide
SMILESCc1ccnc(CNC(=O)CCl)n1
InChIInChI=1S/C8H10ClN3O/c1-6-2-3-10-7(12-6)5-11-8(13)4-9/h2-3H,4-5H2,1H3,(H,11,13)
InChIKeyQWDVZZIAHMMAHS-UHFFFAOYSA-N
XLogP0.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.64
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

3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide
CID 146109129
4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide
CID 126827476
2-chloro-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
CID 166415024
2-methyl-3-(4-methylpyrimidin-2-yl)propanoic acid
CID 116900020
2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 146094614
2-(bromomethyl)-4-methylpyrimidine
CID 86070948
ethyl 2-[[(2-chloroacetyl)amino]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 166415202
ethyl 2-[[(2-chloroacetyl)amino]methyl]-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 167799212
3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 61016398
2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 130794359
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
2-(acetamidomethyl)pyrimidine-4-carboxylic acid
CID 84665880

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide (CID 166416285) is 2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide is Cc1ccnc(CNC(=O)CCl)n1.
What is the InChIKey of 2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide?
The InChIKey is QWDVZZIAHMMAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-6-2-3-10-7(12-6)5-11-8(13)4-9/h2-3H,4-5H2,1H3,(H,11,13).
What are the key properties of 2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide?
2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide has a molecular weight of 199.64 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 166416285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).