4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine

C26H32N4O2 — CID 95850421

IUPAC4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine
SMILESCCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2cccc(OC)c2OC)n1
InChIInChI=1S/C26H32N4O2/c1-4-8-24-28-17-21(19-12-14-27-15-13-19)25(29-24)22-10-5-6-16-30(22)18-20-9-7-11-23(31-2)26(20)32-3/h7,9,11-15,17,22H,4-6,8,10,16,18H2,1-3H3/t22-/m1/s1
InChIKeyFXGDUJBXQSZRNJ-JOCHJYFZSA-N
MW432.57 g/mol
LogP5.24
Rot. Bonds8

About 4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine

4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine (PubChem CID 95850421) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine
PubChem CID95850421
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine
SMILESCCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2cccc(OC)c2OC)n1
InChIInChI=1S/C26H32N4O2/c1-4-8-24-28-17-21(19-12-14-27-15-13-19)25(29-24)22-10-5-6-16-30(22)18-20-9-7-11-23(31-2)26(20)32-3/h7,9,11-15,17,22H,4-6,8,10,16,18H2,1-3H3/t22-/m1/s1
InChIKeyFXGDUJBXQSZRNJ-JOCHJYFZSA-N
XLogP5.24
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine with MolForge

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Related Compounds

4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine
CID 95850389
2-(2-methoxy-5-methylphenyl)-1-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 92590445
1-[(2,3-dimethoxyphenyl)methyl]-2-(1-methylpyrazol-3-yl)azepane
CID 46952896
2-(2-methoxy-4-methylphenoxy)-1-[2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 110218112
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110082680
6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928302
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110247156
1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine
CID 20895888
2-methoxy-6-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]phenol
CID 92878226
4-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-5-(2-methylphenyl)-2-pyridin-4-ylpyrimidine
CID 45210901
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine?
The IUPAC name of 4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine (CID 95850421) is 4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine is CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2cccc(OC)c2OC)n1.
What is the InChIKey of 4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine?
The InChIKey is FXGDUJBXQSZRNJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-4-8-24-28-17-21(19-12-14-27-15-13-19)25(29-24)22-10-5-6-16-30(22)18-20-9-7-11-23(31-2)26(20)32-3/h7,9,11-15,17,22H,4-6,8,10,16,18H2,1-3H3/t22-/m1/s1.
What are the key properties of 4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine?
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine has a molecular weight of 432.57 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine is sourced from PubChem (CID 95850421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).