2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide

C10H14ClN3O — CID 166406336

IUPAC2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide
SMILESCC(C)Cc1ncc(NC(=O)CCl)cn1
InChIInChI=1S/C10H14ClN3O/c1-7(2)3-9-12-5-8(6-13-9)14-10(15)4-11/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyBJXZGOGNCGKVCV-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.85
Rot. Bonds4

About 2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide

2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide (PubChem CID 166406336) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide
PubChem CID166406336
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide
SMILESCC(C)Cc1ncc(NC(=O)CCl)cn1
InChIInChI=1S/C10H14ClN3O/c1-7(2)3-9-12-5-8(6-13-9)14-10(15)4-11/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyBJXZGOGNCGKVCV-UHFFFAOYSA-N
XLogP1.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.85
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

2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide
CID 43699755
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride
CID 120873359
methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate
CID 117225349
2-chloro-N-(5-methylpyrimidin-2-yl)acetamide
CID 167977680
2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide
CID 82022508
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
3-methyl-N-pyrimidin-5-ylbutanamide
CID 130219529
4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
2-hydroxy-N-(2-methylpyrimidin-5-yl)acetamide
CID 83815969
2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide
CID 166404074

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide (CID 166406336) is 2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide is CC(C)Cc1ncc(NC(=O)CCl)cn1.
What is the InChIKey of 2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide?
The InChIKey is BJXZGOGNCGKVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7(2)3-9-12-5-8(6-13-9)14-10(15)4-11/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide?
2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide has a molecular weight of 227.69 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 166406336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).