[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone

C24H26N4O — CID 42802499

IUPAC[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccc(-c2nc(C)cc(N3CCN(C(=O)c4ccccc4C)CC3)n2)cc1
InChIInChI=1S/C24H26N4O/c1-17-8-10-20(11-9-17)23-25-19(3)16-22(26-23)27-12-14-28(15-13-27)24(29)21-7-5-4-6-18(21)2/h4-11,16H,12-15H2,1-3H3
InChIKeyFIAGMDWDUPCXLC-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.03
Rot. Bonds3

About [4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone

[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 42802499) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID42802499
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccc(-c2nc(C)cc(N3CCN(C(=O)c4ccccc4C)CC3)n2)cc1
InChIInChI=1S/C24H26N4O/c1-17-8-10-20(11-9-17)23-25-19(3)16-22(26-23)27-12-14-28(15-13-27)24(29)21-7-5-4-6-18(21)2/h4-11,16H,12-15H2,1-3H3
InChIKeyFIAGMDWDUPCXLC-UHFFFAOYSA-N
XLogP4.03
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047604
(2-methoxyphenyl)-[4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802624
N-(3-chlorophenyl)-4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 42802773
1-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperidin-4-one
CID 56767299
(3-chlorophenyl)-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802457
[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 42666881
(2-methylphenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70704010
(2,4-dimethylphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699055
(2,5-dimethylphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699516
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 141265306
(2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292470
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524

Frequently Asked Questions

What is the IUPAC name of [4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone (CID 42802499) is [4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccc(-c2nc(C)cc(N3CCN(C(=O)c4ccccc4C)CC3)n2)cc1.
What is the InChIKey of [4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is FIAGMDWDUPCXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-8-10-20(11-9-17)23-25-19(3)16-22(26-23)27-12-14-28(15-13-27)24(29)21-7-5-4-6-18(21)2/h4-11,16H,12-15H2,1-3H3.
What are the key properties of [4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone?
[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 386.50 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 42802499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).