2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide

C11H15F2N5O — CID 171994455

IUPAC2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2cc(C(F)F)ncn2)CC1
InChIInChI=1S/C11H15F2N5O/c12-11(13)8-5-10(16-7-15-8)18-3-1-17(2-4-18)6-9(14)19/h5,7,11H,1-4,6H2,(H2,14,19)
InChIKeyKITSERJHOJDPKW-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.02
Rot. Bonds4

About 2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide

2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide (PubChem CID 171994455) has the molecular formula C11H15F2N5O and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide
PubChem CID171994455
Molecular FormulaC11H15F2N5O
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2cc(C(F)F)ncn2)CC1
InChIInChI=1S/C11H15F2N5O/c12-11(13)8-5-10(16-7-15-8)18-3-1-17(2-4-18)6-9(14)19/h5,7,11H,1-4,6H2,(H2,14,19)
InChIKeyKITSERJHOJDPKW-UHFFFAOYSA-N
XLogP0.02
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(difluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 126849074
4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine
CID 126850021
1-[6-(difluoromethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid
CID 126849052
3-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]phenol
CID 166257159
4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171995248
4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171995161
4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine
CID 166366810
2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 69030139
2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 56898389
methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate
CID 133333932
λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 163474801
6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
CID 171997685

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide (CID 171994455) is 2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide is NC(=O)CN1CCN(c2cc(C(F)F)ncn2)CC1.
What is the InChIKey of 2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide?
The InChIKey is KITSERJHOJDPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5O/c12-11(13)8-5-10(16-7-15-8)18-3-1-17(2-4-18)6-9(14)19/h5,7,11H,1-4,6H2,(H2,14,19).
What are the key properties of 2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide?
2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide has a molecular weight of 271.27 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 171994455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).