[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone

C24H27N5O — CID 133310277

IUPAC[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(c3nc(-c4cccnc4)nc(C)c3C)CC2)cc1
InChIInChI=1S/C24H27N5O/c1-4-19-7-9-20(10-8-19)24(30)29-14-12-28(13-15-29)23-17(2)18(3)26-22(27-23)21-6-5-11-25-16-21/h5-11,16H,4,12-15H2,1-3H3
InChIKeyPMORUZIMJCHALW-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.68
Rot. Bonds4

About [4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone

[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone (PubChem CID 133310277) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is [4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
PubChem CID133310277
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(c3nc(-c4cccnc4)nc(C)c3C)CC2)cc1
InChIInChI=1S/C24H27N5O/c1-4-19-7-9-20(10-8-19)24(30)29-14-12-28(13-15-29)23-17(2)18(3)26-22(27-23)21-6-5-11-25-16-21/h5-11,16H,4,12-15H2,1-3H3
InChIKeyPMORUZIMJCHALW-UHFFFAOYSA-N
XLogP3.68
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133316654
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 133319218
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349720
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 82169373
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356454
(4-butylphenyl)-[4-[5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802412
4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
CID 133317098
ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 133387241
[4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 74249829
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874

Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The IUPAC name of [4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone (CID 133310277) is [4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The canonical SMILES for [4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCN(c3nc(-c4cccnc4)nc(C)c3C)CC2)cc1.
What is the InChIKey of [4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The InChIKey is PMORUZIMJCHALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-4-19-7-9-20(10-8-19)24(30)29-14-12-28(13-15-29)23-17(2)18(3)26-22(27-23)21-6-5-11-25-16-21/h5-11,16H,4,12-15H2,1-3H3.
What are the key properties of [4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone has a molecular weight of 401.51 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 133310277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).