[3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone

C11H13F2N3O2 — CID 139019875

IUPAC[3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CC(CC(F)F)C2)ncn1
InChIInChI=1S/C11H13F2N3O2/c1-18-10-3-8(14-6-15-10)11(17)16-4-7(5-16)2-9(12)13/h3,6-7,9H,2,4-5H2,1H3
InChIKeyWDKFXNKRJMLKLI-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.21
Rot. Bonds4

About [3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone

[3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone (PubChem CID 139019875) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is [3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
PubChem CID139019875
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name[3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CC(CC(F)F)C2)ncn1
InChIInChI=1S/C11H13F2N3O2/c1-18-10-3-8(14-6-15-10)11(17)16-4-7(5-16)2-9(12)13/h3,6-7,9H,2,4-5H2,1H3
InChIKeyWDKFXNKRJMLKLI-UHFFFAOYSA-N
XLogP1.21
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-ethyl-6-methoxypyrimidine-4-carboxamide
CID 122180007
6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91628546
6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide
CID 91628503
(4,4-Dimethyloxazolidin-3-yl)(6-methoxypyrimidin-4-yl)methanone
CID 91628566
(2,6-Dimethoxypyrimidin-4-yl)-morpholin-4-ylmethanone
CID 3286661
6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91816289
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 136565230
[4-(Cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
CID 138026458
6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 164636605
N-(cyclopropylmethyl)-6-methoxy-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 177658681
6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide
CID 172563176
N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide
CID 172563277

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The IUPAC name of [3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone (CID 139019875) is [3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone.
What is the SMILES notation for [3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The canonical SMILES for [3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone is COc1cc(C(=O)N2CC(CC(F)F)C2)ncn1.
What is the InChIKey of [3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The InChIKey is WDKFXNKRJMLKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-18-10-3-8(14-6-15-10)11(17)16-4-7(5-16)2-9(12)13/h3,6-7,9H,2,4-5H2,1H3.
What are the key properties of [3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
[3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone has a molecular weight of 257.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethyl)azetidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone is sourced from PubChem (CID 139019875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).