4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine

C20H28N4O — CID 56897135

IUPAC4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
SMILESCOc1ccccc1N1CCN(Cc2ccnc(C(C)C)n2)C(C)C1
InChIInChI=1S/C20H28N4O/c1-15(2)20-21-10-9-17(22-20)14-23-11-12-24(13-16(23)3)18-7-5-6-8-19(18)25-4/h5-10,15-16H,11-14H2,1-4H3
InChIKeyRZPGKMAYDDFONC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.32
Rot. Bonds5

About 4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine

4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine (PubChem CID 56897135) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
PubChem CID56897135
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
SMILESCOc1ccccc1N1CCN(Cc2ccnc(C(C)C)n2)C(C)C1
InChIInChI=1S/C20H28N4O/c1-15(2)20-21-10-9-17(22-20)14-23-11-12-24(13-16(23)3)18-7-5-6-8-19(18)25-4/h5-10,15-16H,11-14H2,1-4H3
InChIKeyRZPGKMAYDDFONC-UHFFFAOYSA-N
XLogP3.32
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline
CID 95719113
1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine
CID 56909683
5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 95715521
2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
CID 95721987
3-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 172901321
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
CID 59648018
2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline
CID 172892521
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172
4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine
CID 72871640
4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine
CID 131944864
1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol
CID 67825142
[5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63635364

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine (CID 56897135) is 4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine is COc1ccccc1N1CCN(Cc2ccnc(C(C)C)n2)C(C)C1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The InChIKey is RZPGKMAYDDFONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15(2)20-21-10-9-17(22-20)14-23-11-12-24(13-16(23)3)18-7-5-6-8-19(18)25-4/h5-10,15-16H,11-14H2,1-4H3.
What are the key properties of 4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine?
4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine has a molecular weight of 340.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 56897135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).