2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine

C21H23N5 — CID 110213955

IUPAC2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine
SMILESCc1ncc(-c2ccncc2)c(C2CCCN(Cc3ccncc3)C2)n1
InChIInChI=1S/C21H23N5/c1-16-24-13-20(18-6-10-23-11-7-18)21(25-16)19-3-2-12-26(15-19)14-17-4-8-22-9-5-17/h4-11,13,19H,2-3,12,14-15H2,1H3
InChIKeyZWKXNIDOKPRLEP-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.62
Rot. Bonds4

About 2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine

2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine (PubChem CID 110213955) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine
PubChem CID110213955
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine
SMILESCc1ncc(-c2ccncc2)c(C2CCCN(Cc3ccncc3)C2)n1
InChIInChI=1S/C21H23N5/c1-16-24-13-20(18-6-10-23-11-7-18)21(25-16)19-3-2-12-26(15-19)14-17-4-8-22-9-5-17/h4-11,13,19H,2-3,12,14-15H2,1H3
InChIKeyZWKXNIDOKPRLEP-UHFFFAOYSA-N
XLogP3.62
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine
CID 95797414
4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine
CID 110213966
cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965157
4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806446
4-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-5-(2-methylphenyl)-2-pyridin-4-ylpyrimidine
CID 26344939
4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine
CID 45167284
(4-fluorophenyl)-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965148
1-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16669953
2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923
5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95806391
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
4-[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine
CID 29151200

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine?
The IUPAC name of 2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine (CID 110213955) is 2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine.
What is the SMILES notation for 2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine?
The canonical SMILES for 2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine is Cc1ncc(-c2ccncc2)c(C2CCCN(Cc3ccncc3)C2)n1.
What is the InChIKey of 2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine?
The InChIKey is ZWKXNIDOKPRLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-16-24-13-20(18-6-10-23-11-7-18)21(25-16)19-3-2-12-26(15-19)14-17-4-8-22-9-5-17/h4-11,13,19H,2-3,12,14-15H2,1H3.
What are the key properties of 2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine?
2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine has a molecular weight of 345.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine is sourced from PubChem (CID 110213955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).