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

C18H21F2N5O — CID 109367417

IUPAC[6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Nc3ccc(F)cc3F)nc(C)n2)CC1
InChIInChI=1S/C18H21F2N5O/c1-3-24-6-8-25(9-7-24)18(26)16-11-17(22-12(2)21-16)23-15-5-4-13(19)10-14(15)20/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,22,23)
InChIKeyGGMVMMVUHHBLGK-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.58
Rot. Bonds4

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

[6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109367417) has the molecular formula C18H21F2N5O and a molecular weight of 361.40 g/mol. Its IUPAC name is [6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109367417
Molecular FormulaC18H21F2N5O
Molecular Weight361.40 g/mol
Exact Mass361.17
IUPAC Name[6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Nc3ccc(F)cc3F)nc(C)n2)CC1
InChIInChI=1S/C18H21F2N5O/c1-3-24-6-8-25(9-7-24)18(26)16-11-17(22-12(2)21-16)23-15-5-4-13(19)10-14(15)20/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,22,23)
InChIKeyGGMVMMVUHHBLGK-UHFFFAOYSA-N
XLogP2.58
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109345533
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367382
[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367363
[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367377
(4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109367307
[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367340
(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109361944
[6-(3,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367398
(4-ethylpiperazin-1-yl)-[6-(2-fluoroanilino)pyrimidin-4-yl]methanone
CID 109345485
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367301
6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849855
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371993

Frequently Asked Questions

What is the IUPAC name of [6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 109367417) is [6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(Nc3ccc(F)cc3F)nc(C)n2)CC1.
What is the InChIKey of [6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is GGMVMMVUHHBLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O/c1-3-24-6-8-25(9-7-24)18(26)16-11-17(22-12(2)21-16)23-15-5-4-13(19)10-14(15)20/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,22,23).
What are the key properties of [6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 361.40 g/mol, XLogP of 2.58, 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)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109367417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).