4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine

C24H29N5O — CID 56564094

IUPAC4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
SMILESCCOc1ccc(CN2CCN(c3nc(-c4ccccn4)nc(C)c3C)CC2)cc1
InChIInChI=1S/C24H29N5O/c1-4-30-21-10-8-20(9-11-21)17-28-13-15-29(16-14-28)24-18(2)19(3)26-23(27-24)22-7-5-6-12-25-22/h5-12H,4,13-17H2,1-3H3
InChIKeyCEPDHVARFLZYHG-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.88
Rot. Bonds6

About 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine

4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine (PubChem CID 56564094) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
PubChem CID56564094
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
SMILESCCOc1ccc(CN2CCN(c3nc(-c4ccccn4)nc(C)c3C)CC2)cc1
InChIInChI=1S/C24H29N5O/c1-4-30-21-10-8-20(9-11-21)17-28-13-15-29(16-14-28)24-18(2)19(3)26-23(27-24)22-7-5-6-12-25-22/h5-12H,4,13-17H2,1-3H3
InChIKeyCEPDHVARFLZYHG-UHFFFAOYSA-N
XLogP3.88
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine with MolForge

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Related Compounds

1-benzyl-4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepane
CID 56585223
4-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 133294526
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 133316063
1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133341479
4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(ethoxymethyl)morpholine
CID 166246196
1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine
CID 883444
N-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56585256
4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine
CID 56584266
4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine
CID 136557229
2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 133290746
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine (CID 56564094) is 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine is CCOc1ccc(CN2CCN(c3nc(-c4ccccn4)nc(C)c3C)CC2)cc1.
What is the InChIKey of 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine?
The InChIKey is CEPDHVARFLZYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-4-30-21-10-8-20(9-11-21)17-28-13-15-29(16-14-28)24-18(2)19(3)26-23(27-24)22-7-5-6-12-25-22/h5-12H,4,13-17H2,1-3H3.
What are the key properties of 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine?
4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine has a molecular weight of 403.53 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 56564094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).