6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide

C17H17F2N5O2 — CID 109345988

IUPAC6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)Nc3ccc(F)c(F)c3)ncn2)CC1
InChIInChI=1S/C17H17F2N5O2/c1-11(25)23-4-6-24(7-5-23)16-9-15(20-10-21-16)17(26)22-12-2-3-13(18)14(19)8-12/h2-3,8-10H,4-7H2,1H3,(H,22,26)
InChIKeyZGQLFMFKFFIREA-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.68
Rot. Bonds3

About 6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide

6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109345988) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID109345988
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)Nc3ccc(F)c(F)c3)ncn2)CC1
InChIInChI=1S/C17H17F2N5O2/c1-11(25)23-4-6-24(7-5-23)16-9-15(20-10-21-16)17(26)22-12-2-3-13(18)14(19)8-12/h2-3,8-10H,4-7H2,1H3,(H,22,26)
InChIKeyZGQLFMFKFFIREA-UHFFFAOYSA-N
XLogP1.68
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355592
N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355141
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352825
6-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345863
6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345915
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345919
N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342239
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345645
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109353022
1-(3,4-difluorophenyl)-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90544036
6-(4-acetylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109345953
N-(3,4-dimethylphenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345622

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide (CID 109345988) is 6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide is CC(=O)N1CCN(c2cc(C(=O)Nc3ccc(F)c(F)c3)ncn2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is ZGQLFMFKFFIREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c1-11(25)23-4-6-24(7-5-23)16-9-15(20-10-21-16)17(26)22-12-2-3-13(18)14(19)8-12/h2-3,8-10H,4-7H2,1H3,(H,22,26).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109345988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).