[6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

C17H19F2N5O — CID 109345533

IUPAC[6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Nc3ccc(F)cc3F)ncn2)CC1
InChIInChI=1S/C17H19F2N5O/c1-2-23-5-7-24(8-6-23)17(25)15-10-16(21-11-20-15)22-14-4-3-12(18)9-13(14)19/h3-4,9-11H,2,5-8H2,1H3,(H,20,21,22)
InChIKeyIAFXMZWMDIRSQP-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.28
Rot. Bonds4

About [6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

[6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109345533) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is [6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109345533
Molecular FormulaC17H19F2N5O
Molecular Weight347.37 g/mol
Exact Mass347.16
IUPAC Name[6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Nc3ccc(F)cc3F)ncn2)CC1
InChIInChI=1S/C17H19F2N5O/c1-2-23-5-7-24(8-6-23)17(25)15-10-16(21-11-20-15)22-14-4-3-12(18)9-13(14)19/h3-4,9-11H,2,5-8H2,1H3,(H,20,21,22)
InChIKeyIAFXMZWMDIRSQP-UHFFFAOYSA-N
XLogP2.28
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethylpiperazin-1-yl)-[6-(2-fluoroanilino)pyrimidin-4-yl]methanone
CID 109345485
(4-ethylpiperazin-1-yl)-[6-(4-fluoroanilino)pyrimidin-4-yl]methanone
CID 109345486
[6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367417
[6-(2,3-dichloroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109345540
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
1-[4-[6-(4-chloro-2-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346072
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344386
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
[6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109112053
6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356328
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)pyrazin-2-yl]methanone
CID 109278506

Frequently Asked Questions

What is the IUPAC name of [6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 109345533) is [6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(Nc3ccc(F)cc3F)ncn2)CC1.
What is the InChIKey of [6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is IAFXMZWMDIRSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O/c1-2-23-5-7-24(8-6-23)17(25)15-10-16(21-11-20-15)22-14-4-3-12(18)9-13(14)19/h3-4,9-11H,2,5-8H2,1H3,(H,20,21,22).
What are the key properties of [6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 347.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109345533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).