1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine

C17H16N3+ — CID 12582859

IUPAC1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine
SMILESC[n+]1c(-c2ccccc2)cc(-c2ccccc2)nc1N
InChIInChI=1S/C17H15N3/c1-20-16(14-10-6-3-7-11-14)12-15(19-17(20)18)13-8-4-2-5-9-13/h2-12,18H,1H3/p+1
InChIKeyLRNQDWZBFYUUCK-UHFFFAOYSA-O
MW262.34 g/mol
LogP2.82
Rot. Bonds2

About 1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine

1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine (PubChem CID 12582859) has the molecular formula C17H16N3+ and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine.

Molecular Properties

Compound Name1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine
PubChem CID12582859
Molecular FormulaC17H16N3+
Molecular Weight262.34 g/mol
Exact Mass262.13
IUPAC Name1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine
SMILESC[n+]1c(-c2ccccc2)cc(-c2ccccc2)nc1N
InChIInChI=1S/C17H15N3/c1-20-16(14-10-6-3-7-11-14)12-15(19-17(20)18)13-8-4-2-5-9-13/h2-12,18H,1H3/p+1
InChIKeyLRNQDWZBFYUUCK-UHFFFAOYSA-O
XLogP2.82
TPSA42.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium
CID 160651520
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613
2-methoxy-6-phenylpyrimidin-4-amine
CID 83848071
2-phenyl-6-propan-2-ylpyridin-4-amine
CID 155682169
4-methoxy-6-phenylpyrimidin-2-amine
CID 676910
4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium
CID 2326756
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
2-[3-(8-bromodibenzofuran-4-yl)phenyl]-1-methyl-4,6-diphenylpyrimidin-1-ium
CID 123948067
2-phenylquinolin-4-amine;hydrochloride
CID 134690731
2-phenylquinolin-4-amine;hydrate
CID 51057793
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine?
The IUPAC name of 1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine (CID 12582859) is 1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine.
What is the SMILES notation for 1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine?
The canonical SMILES for 1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine is C[n+]1c(-c2ccccc2)cc(-c2ccccc2)nc1N.
What is the InChIKey of 1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine?
The InChIKey is LRNQDWZBFYUUCK-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H15N3/c1-20-16(14-10-6-3-7-11-14)12-15(19-17(20)18)13-8-4-2-5-9-13/h2-12,18H,1H3/p+1.
What are the key properties of 1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine?
1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine has a molecular weight of 262.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine is sourced from PubChem (CID 12582859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).