2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine

C20H28N6 — CID 166605105

IUPAC2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCCCC2)cc(N2CCN(Cc3ccncc3)CC2)n1
InChIInChI=1S/C20H28N6/c1-17-22-19(25-9-3-2-4-10-25)15-20(23-17)26-13-11-24(12-14-26)16-18-5-7-21-8-6-18/h5-8,15H,2-4,9-14,16H2,1H3
InChIKeySKUQNRAOYWJUMK-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.49
Rot. Bonds4

About 2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine

2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine (PubChem CID 166605105) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
PubChem CID166605105
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCCCC2)cc(N2CCN(Cc3ccncc3)CC2)n1
InChIInChI=1S/C20H28N6/c1-17-22-19(25-9-3-2-4-10-25)15-20(23-17)26-13-11-24(12-14-26)16-18-5-7-21-8-6-18/h5-8,15H,2-4,9-14,16H2,1H3
InChIKeySKUQNRAOYWJUMK-UHFFFAOYSA-N
XLogP2.49
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830051
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830060
2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
CID 165433055
N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112868823
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 155800699
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
1-(azepan-1-yl)-2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829879
2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 154853788

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine (CID 166605105) is 2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine is Cc1nc(N2CCCCC2)cc(N2CCN(Cc3ccncc3)CC2)n1.
What is the InChIKey of 2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
The InChIKey is SKUQNRAOYWJUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-17-22-19(25-9-3-2-4-10-25)15-20(23-17)26-13-11-24(12-14-26)16-18-5-7-21-8-6-18/h5-8,15H,2-4,9-14,16H2,1H3.
What are the key properties of 2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine has a molecular weight of 352.49 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 166605105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).