4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine

C23H26N4O — CID 95922752

IUPAC4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1cccc(COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C23H26N4O/c1-18-7-6-8-20(15-18)17-28-22-16-19(2)24-23(25-22)27-13-11-26(12-14-27)21-9-4-3-5-10-21/h3-10,15-16H,11-14,17H2,1-2H3
InChIKeyIEZQSQIWQCTZSX-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.00
Rot. Bonds5

About 4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine

4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine (PubChem CID 95922752) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine
PubChem CID95922752
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1cccc(COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C23H26N4O/c1-18-7-6-8-20(15-18)17-28-22-16-19(2)24-23(25-22)27-13-11-26(12-14-27)21-9-4-3-5-10-21/h3-10,15-16H,11-14,17H2,1-2H3
InChIKeyIEZQSQIWQCTZSX-UHFFFAOYSA-N
XLogP4.00
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine
CID 75358366
N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922293
4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine
CID 95923309
N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923477
4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 95922877
3-[[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methyl]benzoic acid
CID 122029027
2-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 133379177
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 112910193
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182
N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327232
2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 86895331
2-[4-(1,3-benzodioxol-5-ylmethoxy)-6-methylpyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 95922685

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine (CID 95922752) is 4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine is Cc1cccc(COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)c1.
What is the InChIKey of 4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is IEZQSQIWQCTZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-18-7-6-8-20(15-18)17-28-22-16-19(2)24-23(25-22)27-13-11-26(12-14-27)21-9-4-3-5-10-21/h3-10,15-16H,11-14,17H2,1-2H3.
What are the key properties of 4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine?
4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 374.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 95922752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).