2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine

C18H24N4O — CID 3528743

IUPAC2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1cc(C)c(CN2CCN(c3ncccn3)CC2)cc1C
InChIInChI=1S/C18H24N4O/c1-14-12-17(23-3)15(2)11-16(14)13-21-7-9-22(10-8-21)18-19-5-4-6-20-18/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyNWWYAXQFZXHTDY-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.42
Rot. Bonds4

About 2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 3528743) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID3528743
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1cc(C)c(CN2CCN(c3ncccn3)CC2)cc1C
InChIInChI=1S/C18H24N4O/c1-14-12-17(23-3)15(2)11-16(14)13-21-7-9-22(10-8-21)18-19-5-4-6-20-18/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyNWWYAXQFZXHTDY-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-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine (CID 3528743) is 2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine is COc1cc(C)c(CN2CCN(c3ncccn3)CC2)cc1C.
What is the InChIKey of 2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is NWWYAXQFZXHTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-12-17(23-3)15(2)11-16(14)13-21-7-9-22(10-8-21)18-19-5-4-6-20-18/h4-6,11-12H,7-10,13H2,1-3H3.
What are the key properties of 2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(4-methoxy-2,5-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-2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 3528743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).