2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine

C19H26N4O — CID 56704337

IUPAC2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine
SMILESCOCc1ncc(CN2CCN(c3ccccc3C)CC2C)cn1
InChIInChI=1S/C19H26N4O/c1-15-6-4-5-7-18(15)23-9-8-22(16(2)12-23)13-17-10-20-19(14-24-3)21-11-17/h4-7,10-11,16H,8-9,12-14H2,1-3H3
InChIKeyXXQCZDQZKALMQA-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.64
Rot. Bonds5

About 2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine

2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine (PubChem CID 56704337) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine
PubChem CID56704337
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine
SMILESCOCc1ncc(CN2CCN(c3ccccc3C)CC2C)cn1
InChIInChI=1S/C19H26N4O/c1-15-6-4-5-7-18(15)23-9-8-22(16(2)12-23)13-17-10-20-19(14-24-3)21-11-17/h4-7,10-11,16H,8-9,12-14H2,1-3H3
InChIKeyXXQCZDQZKALMQA-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]acetic acid
CID 98770791
5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine
CID 56895421
4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine
CID 97139085
3-[(3-fluorophenyl)methyl]-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 45245257
1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine
CID 56909683
3-[5-[[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 98739809
5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 95715521
5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline
CID 95719113
4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56897135
2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine
CID 70705801
5-methyl-1-(2-methylphenyl)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]piperazin-2-one
CID 70769346
methyl 3-amino-4-[(3R)-4-benzyl-3-methylpiperazin-1-yl]benzoate
CID 66598906

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine (CID 56704337) is 2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine is COCc1ncc(CN2CCN(c3ccccc3C)CC2C)cn1.
What is the InChIKey of 2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine?
The InChIKey is XXQCZDQZKALMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-6-4-5-7-18(15)23-9-8-22(16(2)12-23)13-17-10-20-19(14-24-3)21-11-17/h4-7,10-11,16H,8-9,12-14H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine?
2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine has a molecular weight of 326.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 56704337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).