[6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C11H13F2N3O — CID 165431443

IUPAC[6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCC2)cc(C(F)F)n1
InChIInChI=1S/C11H13F2N3O/c1-7-14-8(10(12)13)6-9(15-7)11(17)16-4-2-3-5-16/h6,10H,2-5H2,1H3
InChIKeyZXQIIAFPBNEJMZ-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.96
Rot. Bonds2

About [6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 165431443) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is [6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID165431443
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name[6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCC2)cc(C(F)F)n1
InChIInChI=1S/C11H13F2N3O/c1-7-14-8(10(12)13)6-9(15-7)11(17)16-4-2-3-5-16/h6,10H,2-5H2,1H3
InChIKeyZXQIIAFPBNEJMZ-UHFFFAOYSA-N
XLogP1.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dichlorophenyl)piperazin-1-yl]-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]methanone
CID 165432904
[2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109360380
[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363677
[6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 97458122
[6-(diethylamino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363663
1-[4-[6-(azepane-1-carbonyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109367746
[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 75538812
[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 75538862
azepan-1-yl-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109369163
[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 97458115
[2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363719
[6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362934

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 165431443) is [6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1nc(C(=O)N2CCCC2)cc(C(F)F)n1.
What is the InChIKey of [6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZXQIIAFPBNEJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c1-7-14-8(10(12)13)6-9(15-7)11(17)16-4-2-3-5-16/h6,10H,2-5H2,1H3.
What are the key properties of [6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 241.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 165431443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).