4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine

C22H32N4O — CID 133402121

IUPAC4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(N2CCN(Cc3ccccc3)CC2C)nc(C(C)(C)C)n1
InChIInChI=1S/C22H32N4O/c1-17-14-25(15-18-9-7-6-8-10-18)11-12-26(17)20-13-19(16-27-5)23-21(24-20)22(2,3)4/h6-10,13,17H,11-12,14-16H2,1-5H3
InChIKeyWGBGKCKCWHVKEK-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.63
Rot. Bonds5

About 4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine

4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine (PubChem CID 133402121) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine
PubChem CID133402121
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(N2CCN(Cc3ccccc3)CC2C)nc(C(C)(C)C)n1
InChIInChI=1S/C22H32N4O/c1-17-14-25(15-18-9-7-6-8-10-18)11-12-26(17)20-13-19(16-27-5)23-21(24-20)22(2,3)4/h6-10,13,17H,11-12,14-16H2,1-5H3
InChIKeyWGBGKCKCWHVKEK-UHFFFAOYSA-N
XLogP3.63
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine
CID 133460996
2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 130766041
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133402092
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 133401089
3-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 133401831
4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine
CID 133412209
2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine
CID 133412573
2-tert-butyl-4-(methoxymethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 133400462
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine
CID 133412101
2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
CID 133401848
2-(4-benzyl-2-methylpiperazin-1-yl)-5-bromo-1,3,4-thiadiazole
CID 130766066

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine (CID 133402121) is 4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine is COCc1cc(N2CCN(Cc3ccccc3)CC2C)nc(C(C)(C)C)n1.
What is the InChIKey of 4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine?
The InChIKey is WGBGKCKCWHVKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-17-14-25(15-18-9-7-6-8-10-18)11-12-26(17)20-13-19(16-27-5)23-21(24-20)22(2,3)4/h6-10,13,17H,11-12,14-16H2,1-5H3.
What are the key properties of 4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine?
4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine has a molecular weight of 368.53 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 133402121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).