2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine

C19H26N6 — CID 165433055

IUPAC2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
SMILESCc1nc(N2CCCCC2)cc(N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C19H26N6/c1-16-21-18(24-9-3-2-4-10-24)15-19(22-16)25-13-11-23(12-14-25)17-5-7-20-8-6-17/h5-8,15H,2-4,9-14H2,1H3
InChIKeyRSMLRCPHALOUJL-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.50
Rot. Bonds3

About 2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine

2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine (PubChem CID 165433055) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
PubChem CID165433055
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
SMILESCc1nc(N2CCCCC2)cc(N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C19H26N6/c1-16-21-18(24-9-3-2-4-10-24)15-19(22-16)25-13-11-23(12-14-25)17-5-7-20-8-6-17/h5-8,15H,2-4,9-14H2,1H3
InChIKeyRSMLRCPHALOUJL-UHFFFAOYSA-N
XLogP2.50
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 166605105
4-pyrrolidin-1-ylpyridine
CID 158456628
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 154853788
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 165432779
N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112868823
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine (CID 165433055) is 2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine is Cc1nc(N2CCCCC2)cc(N2CCN(c3ccncc3)CC2)n1.
What is the InChIKey of 2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine?
The InChIKey is RSMLRCPHALOUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-16-21-18(24-9-3-2-4-10-24)15-19(22-16)25-13-11-23(12-14-25)17-5-7-20-8-6-17/h5-8,15H,2-4,9-14H2,1H3.
What are the key properties of 2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine?
2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine has a molecular weight of 338.46 g/mol, XLogP of 2.50, 3 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-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 165433055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).