4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine

C18H25N5O — CID 120767508

IUPAC4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccccc1C1CNCCN1Cc1ccnc(N(C)C)n1
InChIInChI=1S/C18H25N5O/c1-22(2)18-20-9-8-14(21-18)13-23-11-10-19-12-16(23)15-6-4-5-7-17(15)24-3/h4-9,16,19H,10-13H2,1-3H3
InChIKeyDFYAUJPEPIXHMP-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.70
Rot. Bonds5

About 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine

4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 120767508) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID120767508
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccccc1C1CNCCN1Cc1ccnc(N(C)C)n1
InChIInChI=1S/C18H25N5O/c1-22(2)18-20-9-8-14(21-18)13-23-11-10-19-12-16(23)15-6-4-5-7-17(15)24-3/h4-9,16,19H,10-13H2,1-3H3
InChIKeyDFYAUJPEPIXHMP-UHFFFAOYSA-N
XLogP1.70
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239
2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 120967209
2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120767619
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767381
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120754217
2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 120753675
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine
CID 120753605
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride
CID 120753805

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine (CID 120767508) is 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine is COc1ccccc1C1CNCCN1Cc1ccnc(N(C)C)n1.
What is the InChIKey of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is DFYAUJPEPIXHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-22(2)18-20-9-8-14(21-18)13-23-11-10-19-12-16(23)15-6-4-5-7-17(15)24-3/h4-9,16,19H,10-13H2,1-3H3.
What are the key properties of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 327.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 120767508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).