N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide

C11H14F2N4O2 — CID 175648175

IUPACN-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide
SMILESCn1cnc(N2CC(C(=O)NCC(F)F)C2)cc1=O
InChIInChI=1S/C11H14F2N4O2/c1-16-6-15-9(2-10(16)18)17-4-7(5-17)11(19)14-3-8(12)13/h2,6-8H,3-5H2,1H3,(H,14,19)
InChIKeyMEIOORQAWXRJHR-UHFFFAOYSA-N
MW272.25 g/mol
LogP-0.40
Rot. Bonds4

About N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide

N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 175648175) has the molecular formula C11H14F2N4O2 and a molecular weight of 272.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID175648175
Molecular FormulaC11H14F2N4O2
Molecular Weight272.25 g/mol
Exact Mass272.11
IUPAC NameN-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide
SMILESCn1cnc(N2CC(C(=O)NCC(F)F)C2)cc1=O
InChIInChI=1S/C11H14F2N4O2/c1-16-6-15-9(2-10(16)18)17-4-7(5-17)11(19)14-3-8(12)13/h2,6-8H,3-5H2,1H3,(H,14,19)
InChIKeyMEIOORQAWXRJHR-UHFFFAOYSA-N
XLogP-0.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide (CID 175648175) is N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide is Cn1cnc(N2CC(C(=O)NCC(F)F)C2)cc1=O.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is MEIOORQAWXRJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O2/c1-16-6-15-9(2-10(16)18)17-4-7(5-17)11(19)14-3-8(12)13/h2,6-8H,3-5H2,1H3,(H,14,19).
What are the key properties of N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide?
N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 272.25 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 175648175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).