2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine

C20H24N6O — CID 74250827

IUPAC2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ccc(-c2ncc(CN3CCC(c4nncn4C)CC3)cn2)cc1
InChIInChI=1S/C20H24N6O/c1-25-14-23-24-20(25)17-7-9-26(10-8-17)13-15-11-21-19(22-12-15)16-3-5-18(27-2)6-4-16/h3-6,11-12,14,17H,7-10,13H2,1-2H3
InChIKeyUPJAKKYJZPSIBH-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.66
Rot. Bonds5

About 2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine

2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 74250827) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine
PubChem CID74250827
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ccc(-c2ncc(CN3CCC(c4nncn4C)CC3)cn2)cc1
InChIInChI=1S/C20H24N6O/c1-25-14-23-24-20(25)17-7-9-26(10-8-17)13-15-11-21-19(22-12-15)16-3-5-18(27-2)6-4-16/h3-6,11-12,14,17H,7-10,13H2,1-2H3
InChIKeyUPJAKKYJZPSIBH-UHFFFAOYSA-N
XLogP2.66
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine with MolForge

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Related Compounds

1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]azepan-4-amine
CID 74232657
1-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 74241223
3-[[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 92637664
1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one
CID 46963062
N-ethyl-N-[[(3R)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]methyl]ethanamine
CID 92590963
ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate
CID 91776475
4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine
CID 170871376
1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine
CID 92631648
5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898786
1-[(6R)-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 99927971
(1R,5S)-6-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride
CID 154900696
4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(4-methoxyphenyl)methyl]piperidine
CID 72925234

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine (CID 74250827) is 2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine is COc1ccc(-c2ncc(CN3CCC(c4nncn4C)CC3)cn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is UPJAKKYJZPSIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-25-14-23-24-20(25)17-7-9-26(10-8-17)13-15-11-21-19(22-12-15)16-3-5-18(27-2)6-4-16/h3-6,11-12,14,17H,7-10,13H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine?
2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 364.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 74250827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).