[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine

C13H18N4O — CID 55048942

IUPAC[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine
SMILESCOc1c(C)cnc(Cn2ccnc2CN)c1C
InChIInChI=1S/C13H18N4O/c1-9-7-16-11(10(2)13(9)18-3)8-17-5-4-15-12(17)6-14/h4-5,7H,6,8,14H2,1-3H3
InChIKeyBICJBSXJWREDBJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.41
Rot. Bonds4

About [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine

[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine (PubChem CID 55048942) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine
PubChem CID55048942
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine
SMILESCOc1c(C)cnc(Cn2ccnc2CN)c1C
InChIInChI=1S/C13H18N4O/c1-9-7-16-11(10(2)13(9)18-3)8-17-5-4-15-12(17)6-14/h4-5,7H,6,8,14H2,1-3H3
InChIKeyBICJBSXJWREDBJ-UHFFFAOYSA-N
XLogP1.41
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one
CID 107017591
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647583
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one
CID 115679486
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrole-2-carboxylic acid
CID 102604585
[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221952
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 58014058
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228
[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
CID 162423000
2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 56781851
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404064
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917723

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine?
The IUPAC name of [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine (CID 55048942) is [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine.
What is the SMILES notation for [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine?
The canonical SMILES for [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine is COc1c(C)cnc(Cn2ccnc2CN)c1C.
What is the InChIKey of [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine?
The InChIKey is BICJBSXJWREDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-7-16-11(10(2)13(9)18-3)8-17-5-4-15-12(17)6-14/h4-5,7H,6,8,14H2,1-3H3.
What are the key properties of [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine?
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine is sourced from PubChem (CID 55048942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).