2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine

C17H21N3 — CID 118760474

IUPAC2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine
SMILESCc1cccc(-c2cnc(C)nc2C2CCCNC2)c1
InChIInChI=1S/C17H21N3/c1-12-5-3-6-14(9-12)16-11-19-13(2)20-17(16)15-7-4-8-18-10-15/h3,5-6,9,11,15,18H,4,7-8,10H2,1-2H3
InChIKeyOMWNGTUZKMDUPR-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.23
Rot. Bonds2

About 2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine

2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine (PubChem CID 118760474) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine
PubChem CID118760474
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine
SMILESCc1cccc(-c2cnc(C)nc2C2CCCNC2)c1
InChIInChI=1S/C17H21N3/c1-12-5-3-6-14(9-12)16-11-19-13(2)20-17(16)15-7-4-8-18-10-15/h3,5-6,9,11,15,18H,4,7-8,10H2,1-2H3
InChIKeyOMWNGTUZKMDUPR-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 124938721
2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine
CID 118759426
(5S)-5-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 45189466
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732
(E)-4-methyl-1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]pent-2-en-1-one
CID 45211994
[(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 42162188
1-[(2S)-2-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 45178854
3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 84604305
5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine
CID 110246159
(E)-3-(3,5-difluorophenyl)-1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]prop-2-en-1-one
CID 45190662
[(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 26354732
2,3-dihydro-1,4-benzodioxin-6-yl-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 45186604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine?
The IUPAC name of 2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine (CID 118760474) is 2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine.
What is the SMILES notation for 2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine?
The canonical SMILES for 2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine is Cc1cccc(-c2cnc(C)nc2C2CCCNC2)c1.
What is the InChIKey of 2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine?
The InChIKey is OMWNGTUZKMDUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-5-3-6-14(9-12)16-11-19-13(2)20-17(16)15-7-4-8-18-10-15/h3,5-6,9,11,15,18H,4,7-8,10H2,1-2H3.
What are the key properties of 2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine?
2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine has a molecular weight of 267.38 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine is sourced from PubChem (CID 118760474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).