2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine

C19H25N3O — CID 115069993

IUPAC2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine
SMILESCOc1cccc(Cc2nc(C)c(C3CCCNC3)c(C)n2)c1
InChIInChI=1S/C19H25N3O/c1-13-19(16-7-5-9-20-12-16)14(2)22-18(21-13)11-15-6-4-8-17(10-15)23-3/h4,6,8,10,16,20H,5,7,9,11-12H2,1-3H3
InChIKeyRAYJAIXKUSSODJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.16
Rot. Bonds4

About 2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine

2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine (PubChem CID 115069993) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine
PubChem CID115069993
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine
SMILESCOc1cccc(Cc2nc(C)c(C3CCCNC3)c(C)n2)c1
InChIInChI=1S/C19H25N3O/c1-13-19(16-7-5-9-20-12-16)14(2)22-18(21-13)11-15-6-4-8-17(10-15)23-3/h4,6,8,10,16,20H,5,7,9,11-12H2,1-3H3
InChIKeyRAYJAIXKUSSODJ-UHFFFAOYSA-N
XLogP3.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739988
7-[(3-methoxyphenyl)methyl]-4-methyl-2-piperidin-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride
CID 167995610
4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 136729467
3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 107854548
4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine
CID 175662227
3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911769
3-(4-methoxyphenyl)piperidine
CID 12937920
5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine
CID 117231461
[2-[(3-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]methanol
CID 114204972
4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135975552
3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119948489
4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine
CID 66292488

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine (CID 115069993) is 2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine is COc1cccc(Cc2nc(C)c(C3CCCNC3)c(C)n2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine?
The InChIKey is RAYJAIXKUSSODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13-19(16-7-5-9-20-12-16)14(2)22-18(21-13)11-15-6-4-8-17(10-15)23-3/h4,6,8,10,16,20H,5,7,9,11-12H2,1-3H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine?
2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine has a molecular weight of 311.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine is sourced from PubChem (CID 115069993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).