3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide

C9H12FN3O — CID 134471510

IUPAC3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1nccc(CF)n1
InChIInChI=1S/C9H12FN3O/c1-11-9(14)3-2-8-12-5-4-7(6-10)13-8/h4-5H,2-3,6H2,1H3,(H,11,14)
InChIKeyNHAREHHLUYUWIW-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.62
Rot. Bonds4

About 3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide

3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide (PubChem CID 134471510) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide
PubChem CID134471510
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1nccc(CF)n1
InChIInChI=1S/C9H12FN3O/c1-11-9(14)3-2-8-12-5-4-7(6-10)13-8/h4-5H,2-3,6H2,1H3,(H,11,14)
InChIKeyNHAREHHLUYUWIW-UHFFFAOYSA-N
XLogP0.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-pyrimidinemethanamine
CID 18727763
N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
1-(4-Methyl-2-pyrimidinyl)-4-piperidinecarboxamide
CID 91406466
2-Acetoacetamido-4-methylpyrimidine
CID 573260
N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158504
N'-cyclopentyl-N-methyl-N-(4-pyrimidinylmethyl)succinamide
CID 28363197
3-Ethyl-4-(4-methylpyrimidin-2-yl)piperazin-2-one
CID 75379310
1-[[2-(Dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea
CID 75444259
N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]acetamide
CID 172435050
N-Butyl-4-methylpyrimidin-2-amine
CID 62958720
N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 2795995
4-(Trifluoromethyl)-2-pyrimidineethanamine
CID 63317603

Frequently Asked Questions

What is the IUPAC name of 3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide?
The IUPAC name of 3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide (CID 134471510) is 3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide?
The canonical SMILES for 3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide is CNC(=O)CCc1nccc(CF)n1.
What is the InChIKey of 3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide?
The InChIKey is NHAREHHLUYUWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-11-9(14)3-2-8-12-5-4-7(6-10)13-8/h4-5H,2-3,6H2,1H3,(H,11,14).
What are the key properties of 3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide?
3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide has a molecular weight of 197.21 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(fluoromethyl)pyrimidin-2-yl]-N-methylpropanamide is sourced from PubChem (CID 134471510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).