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

C17H22N4O — CID 154575770

IUPAC4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1cc(N2CCN(Cc3cccc(C)c3)CC2)ncn1
InChIInChI=1S/C17H22N4O/c1-14-4-3-5-15(10-14)12-20-6-8-21(9-7-20)16-11-17(22-2)19-13-18-16/h3-5,10-11,13H,6-9,12H2,1-2H3
InChIKeyMFFRWYNEZPTWOA-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.12
Rot. Bonds4

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

4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 154575770) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID154575770
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1cc(N2CCN(Cc3cccc(C)c3)CC2)ncn1
InChIInChI=1S/C17H22N4O/c1-14-4-3-5-15(10-14)12-20-6-8-21(9-7-20)16-11-17(22-2)19-13-18-16/h3-5,10-11,13H,6-9,12H2,1-2H3
InChIKeyMFFRWYNEZPTWOA-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 146074484
3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol
CID 86795904
4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171130683
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-(3-methylphenyl)acetamide
CID 90545602
4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166605374
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154581224
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 1148322
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 50967833
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine
CID 83289215

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine (CID 154575770) is 4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine is COc1cc(N2CCN(Cc3cccc(C)c3)CC2)ncn1.
What is the InChIKey of 4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is MFFRWYNEZPTWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-4-3-5-15(10-14)12-20-6-8-21(9-7-20)16-11-17(22-2)19-13-18-16/h3-5,10-11,13H,6-9,12H2,1-2H3.
What are the key properties of 4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine?
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 298.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 154575770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).