[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone

C24H34N6O2 — CID 42847788

IUPAC[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(N3CCN(c4c(C)cccc4C)CC3)nc2OC)CC1
InChIInChI=1S/C24H34N6O2/c1-5-27-9-11-29(12-10-27)23(31)20-17-25-24(26-22(20)32-4)30-15-13-28(14-16-30)21-18(2)7-6-8-19(21)3/h6-8,17H,5,9-16H2,1-4H3
InChIKeyXZANFTNQLQVGQP-UHFFFAOYSA-N
MW438.58 g/mol
LogP2.21
Rot. Bonds5

About [2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone

[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 42847788) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is [2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID42847788
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(N3CCN(c4c(C)cccc4C)CC3)nc2OC)CC1
InChIInChI=1S/C24H34N6O2/c1-5-27-9-11-29(12-10-27)23(31)20-17-25-24(26-22(20)32-4)30-15-13-28(14-16-30)21-18(2)7-6-8-19(21)3/h6-8,17H,5,9-16H2,1-4H3
InChIKeyXZANFTNQLQVGQP-UHFFFAOYSA-N
XLogP2.21
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide
CID 46037141
2-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 66504041
ethyl 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazine-1-carboxylate
CID 103726594
ethyl 4-[4-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109302562
1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254149
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 42847732
2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 66505259
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 66505238
(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 81236941
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 42847731
2-(4-ethylpiperazin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 66505285
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110763337

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone (CID 42847788) is [2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cnc(N3CCN(c4c(C)cccc4C)CC3)nc2OC)CC1.
What is the InChIKey of [2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is XZANFTNQLQVGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-5-27-9-11-29(12-10-27)23(31)20-17-25-24(26-22(20)32-4)30-15-13-28(14-16-30)21-18(2)7-6-8-19(21)3/h6-8,17H,5,9-16H2,1-4H3.
What are the key properties of [2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 438.58 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 42847788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).