5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine

C17H22N4O — CID 138005559

IUPAC5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine
SMILESCOc1c(C)ncnc1N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C17H22N4O/c1-13-6-4-5-7-15(13)20-8-10-21(11-9-20)17-16(22-3)14(2)18-12-19-17/h4-7,12H,8-11H2,1-3H3
InChIKeyLVHQBPYJLBCHJG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.43
Rot. Bonds3

About 5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine

5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine (PubChem CID 138005559) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine
PubChem CID138005559
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine
SMILESCOc1c(C)ncnc1N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C17H22N4O/c1-13-6-4-5-7-15(13)20-8-10-21(11-9-20)17-16(22-3)14(2)18-12-19-17/h4-7,12H,8-11H2,1-3H3
InChIKeyLVHQBPYJLBCHJG-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methoxy-6-methylpyrimidin-4-yl)piperidin-4-amine
CID 83838867
2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 136551352
6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 962678
4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 4811206
4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 110874996
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 51491376
1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 17017469
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline
CID 112843750
4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline
CID 135101124
1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride
CID 21149439
1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565
1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine (CID 138005559) is 5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine is COc1c(C)ncnc1N1CCN(c2ccccc2C)CC1.
What is the InChIKey of 5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine?
The InChIKey is LVHQBPYJLBCHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-6-4-5-7-15(13)20-8-10-21(11-9-20)17-16(22-3)14(2)18-12-19-17/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine?
5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine has a molecular weight of 298.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 138005559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).