(4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone

C19H24FN5O — CID 109367307

IUPAC(4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(NCc3ccccc3F)nc(C)n2)CC1
InChIInChI=1S/C19H24FN5O/c1-3-24-8-10-25(11-9-24)19(26)17-12-18(23-14(2)22-17)21-13-15-6-4-5-7-16(15)20/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,22,23)
InChIKeyKWGIRWOUJJRLJE-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.31
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone (PubChem CID 109367307) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
PubChem CID109367307
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name(4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(NCc3ccccc3F)nc(C)n2)CC1
InChIInChI=1S/C19H24FN5O/c1-3-24-8-10-25(11-9-24)19(26)17-12-18(23-14(2)22-17)21-13-15-6-4-5-7-16(15)20/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,22,23)
InChIKeyKWGIRWOUJJRLJE-UHFFFAOYSA-N
XLogP2.31
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109367302
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367301
ethyl 4-[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109368526
(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109361944
(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109254005
[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367340
[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365533
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109369586
[6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367417
(4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)methylamino]-3-pyridinyl]methanone
CID 109230420
(4-ethylpiperazin-1-yl)-[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]methanone
CID 109367329
[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367377

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone (CID 109367307) is (4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone is CCN1CCN(C(=O)c2cc(NCc3ccccc3F)nc(C)n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone?
The InChIKey is KWGIRWOUJJRLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-3-24-8-10-25(11-9-24)19(26)17-12-18(23-14(2)22-17)21-13-15-6-4-5-7-16(15)20/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,22,23).
What are the key properties of (4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone has a molecular weight of 357.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone is sourced from PubChem (CID 109367307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).