2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine

C18H24N4O2 — CID 133403794

IUPAC2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
SMILESCOc1cc(CN2CCN(c3ncc(C)cn3)CC2)cc(OC)c1
InChIInChI=1S/C18H24N4O2/c1-14-11-19-18(20-12-14)22-6-4-21(5-7-22)13-15-8-16(23-2)10-17(9-15)24-3/h8-12H,4-7,13H2,1-3H3
InChIKeyQMLOEUHTXFKRPK-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.12
Rot. Bonds5

About 2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine

2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine (PubChem CID 133403794) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
PubChem CID133403794
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
SMILESCOc1cc(CN2CCN(c3ncc(C)cn3)CC2)cc(OC)c1
InChIInChI=1S/C18H24N4O2/c1-14-11-19-18(20-12-14)22-6-4-21(5-7-22)13-15-8-16(23-2)10-17(9-15)24-3/h8-12H,4-7,13H2,1-3H3
InChIKeyQMLOEUHTXFKRPK-UHFFFAOYSA-N
XLogP2.12
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 75424158
1,4,7-tris[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methyl]-1,4,7-triazonane
CID 100958899
ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144655249
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine
CID 171070178
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 154580901
2-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 3756796
5-methoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 3816451
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]butan-1-amine
CID 63208464
2-(azetidin-1-yl)-5-methoxypyrimidine
CID 163343627
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine?
The IUPAC name of 2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine (CID 133403794) is 2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine is COc1cc(CN2CCN(c3ncc(C)cn3)CC2)cc(OC)c1.
What is the InChIKey of 2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine?
The InChIKey is QMLOEUHTXFKRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-11-19-18(20-12-14)22-6-4-21(5-7-22)13-15-8-16(23-2)10-17(9-15)24-3/h8-12H,4-7,13H2,1-3H3.
What are the key properties of 2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine?
2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine has a molecular weight of 328.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 133403794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).