4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine

C26H32N4O — CID 95850389

IUPAC4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine
SMILESCCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2ccc(C)cc2OC)n1
InChIInChI=1S/C26H32N4O/c1-4-7-25-28-17-22(20-11-13-27-14-12-20)26(29-25)23-8-5-6-15-30(23)18-21-10-9-19(2)16-24(21)31-3/h9-14,16-17,23H,4-8,15,18H2,1-3H3/t23-/m1/s1
InChIKeyLPIAXFBGEOJSHP-HSZRJFAPSA-N
MW416.57 g/mol
LogP5.54
Rot. Bonds7

About 4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine

4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine (PubChem CID 95850389) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine
PubChem CID95850389
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine
SMILESCCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2ccc(C)cc2OC)n1
InChIInChI=1S/C26H32N4O/c1-4-7-25-28-17-22(20-11-13-27-14-12-20)26(29-25)23-8-5-6-15-30(23)18-21-10-9-19(2)16-24(21)31-3/h9-14,16-17,23H,4-8,15,18H2,1-3H3/t23-/m1/s1
InChIKeyLPIAXFBGEOJSHP-HSZRJFAPSA-N
XLogP5.54
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine with MolForge

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Related Compounds

4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine
CID 95850421
2-(2-methoxy-5-methylphenyl)-1-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 92590445
2-(2-methoxy-4-methylphenoxy)-1-[2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 110218112
4-[(2S)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136860729
4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine
CID 92563624
4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136881696
4-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136860718
3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 92590487
4-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine
CID 110218295
4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine
CID 110218294
N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 95832802
2-(4-methoxy-3-methylphenyl)-1-[(2S)-2-[5-(3-methyl-4-pyridinyl)-2-propylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 92590544

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine?
The IUPAC name of 4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine (CID 95850389) is 4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine is CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2ccc(C)cc2OC)n1.
What is the InChIKey of 4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine?
The InChIKey is LPIAXFBGEOJSHP-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H32N4O/c1-4-7-25-28-17-22(20-11-13-27-14-12-20)26(29-25)23-8-5-6-15-30(23)18-21-10-9-19(2)16-24(21)31-3/h9-14,16-17,23H,4-8,15,18H2,1-3H3/t23-/m1/s1.
What are the key properties of 4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine?
4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine has a molecular weight of 416.57 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine is sourced from PubChem (CID 95850389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).