4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine

C19H26N4 — CID 133460996

IUPAC4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine
SMILESCCc1cc(N2CCN(Cc3ccccc3)CC2C)nc(C)n1
InChIInChI=1S/C19H26N4/c1-4-18-12-19(21-16(3)20-18)23-11-10-22(13-15(23)2)14-17-8-6-5-7-9-17/h5-9,12,15H,4,10-11,13-14H2,1-3H3
InChIKeySIISJDNPFBDJCZ-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.06
Rot. Bonds4

About 4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine

4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine (PubChem CID 133460996) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine.

Molecular Properties

Compound Name4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine
PubChem CID133460996
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine
SMILESCCc1cc(N2CCN(Cc3ccccc3)CC2C)nc(C)n1
InChIInChI=1S/C19H26N4/c1-4-18-12-19(21-16(3)20-18)23-11-10-22(13-15(23)2)14-17-8-6-5-7-9-17/h5-9,12,15H,4,10-11,13-14H2,1-3H3
InChIKeySIISJDNPFBDJCZ-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine
CID 133402121
2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 130766041
4-benzyl-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methyl-1,4-diazepane
CID 133461463
4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine
CID 133461341
2-(4-benzyl-2-methylpiperazin-1-yl)-5-bromo-1,3,4-thiadiazole
CID 130766066
(6R)-1-benzyl-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-6-ol
CID 99974314
4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine
CID 22199604
2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 22199601
4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine
CID 95789765
4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133461008
4-benzyl-2-methyl-1-methylsulfonylpiperazine
CID 72691051
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine?
The IUPAC name of 4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine (CID 133460996) is 4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine.
What is the SMILES notation for 4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine?
The canonical SMILES for 4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine is CCc1cc(N2CCN(Cc3ccccc3)CC2C)nc(C)n1.
What is the InChIKey of 4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine?
The InChIKey is SIISJDNPFBDJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-4-18-12-19(21-16(3)20-18)23-11-10-22(13-15(23)2)14-17-8-6-5-7-9-17/h5-9,12,15H,4,10-11,13-14H2,1-3H3.
What are the key properties of 4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine?
4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine has a molecular weight of 310.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine is sourced from PubChem (CID 133460996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).