[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

C19H24ClN5O — CID 109367382

IUPAC[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Nc3ccc(Cl)cc3C)nc(C)n2)CC1
InChIInChI=1S/C19H24ClN5O/c1-4-24-7-9-25(10-8-24)19(26)17-12-18(22-14(3)21-17)23-16-6-5-15(20)11-13(16)2/h5-6,11-12H,4,7-10H2,1-3H3,(H,21,22,23)
InChIKeyRELUCJRBKLPGFO-UHFFFAOYSA-N
MW373.89 g/mol
LogP3.27
Rot. Bonds4

About [6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109367382) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is [6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109367382
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Nc3ccc(Cl)cc3C)nc(C)n2)CC1
InChIInChI=1S/C19H24ClN5O/c1-4-24-7-9-25(10-8-24)19(26)17-12-18(22-14(3)21-17)23-16-6-5-15(20)11-13(16)2/h5-6,11-12H,4,7-10H2,1-3H3,(H,21,22,23)
InChIKeyRELUCJRBKLPGFO-UHFFFAOYSA-N
XLogP3.27
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367377
[6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367417
[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367363
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371737
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 112847243
6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360296
[6-(2,5-dichloroanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363756
[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367340
1-[4-[6-(4-chloro-2-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346072
(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)-[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109367302

Frequently Asked Questions

What is the IUPAC name of [6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 109367382) is [6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(Nc3ccc(Cl)cc3C)nc(C)n2)CC1.
What is the InChIKey of [6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is RELUCJRBKLPGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-4-24-7-9-25(10-8-24)19(26)17-12-18(22-14(3)21-17)23-16-6-5-15(20)11-13(16)2/h5-6,11-12H,4,7-10H2,1-3H3,(H,21,22,23).
What are the key properties of [6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 373.89 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109367382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).