2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine

C18H24N4O — CID 791369

IUPAC2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccc(CN2CCN(c3ncccn3)CC2)c(C)c1C
InChIInChI=1S/C18H24N4O/c1-14-15(2)17(23-3)6-5-16(14)13-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h4-8H,9-13H2,1-3H3
InChIKeyIFZHSFXLDNNMOM-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.42
Rot. Bonds4

About 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 791369) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID791369
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccc(CN2CCN(c3ncccn3)CC2)c(C)c1C
InChIInChI=1S/C18H24N4O/c1-14-15(2)17(23-3)6-5-16(14)13-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h4-8H,9-13H2,1-3H3
InChIKeyIFZHSFXLDNNMOM-UHFFFAOYSA-N
XLogP2.42
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine (CID 791369) is 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine is COc1ccc(CN2CCN(c3ncccn3)CC2)c(C)c1C.
What is the InChIKey of 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is IFZHSFXLDNNMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-15(2)17(23-3)6-5-16(14)13-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h4-8H,9-13H2,1-3H3.
What are the key properties of 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 312.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 791369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).