[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine

C14H17N3O — CID 62743741

IUPAC[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
SMILESCOc1ccccc1Cc1nc(C)cc(CN)n1
InChIInChI=1S/C14H17N3O/c1-10-7-12(9-15)17-14(16-10)8-11-5-3-4-6-13(11)18-2/h3-7H,8-9,15H2,1-2H3
InChIKeyHBVQTGZDISHKDP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.84
Rot. Bonds4

About [2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine

[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine (PubChem CID 62743741) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
PubChem CID62743741
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
SMILESCOc1ccccc1Cc1nc(C)cc(CN)n1
InChIInChI=1S/C14H17N3O/c1-10-7-12(9-15)17-14(16-10)8-11-5-3-4-6-13(11)18-2/h3-7H,8-9,15H2,1-2H3
InChIKeyHBVQTGZDISHKDP-UHFFFAOYSA-N
XLogP1.84
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine
CID 62745058
4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541722
2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62746485
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 82806244
[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]methanol
CID 115070027
N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 62190751
[2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117135053
[2-[(2-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82223666
3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 62470170
4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine
CID 63355445
1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine
CID 55114291
(2-ethyl-6-methylpyrimidin-4-yl)methanamine
CID 62743734

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine (CID 62743741) is [2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine is COc1ccccc1Cc1nc(C)cc(CN)n1.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is HBVQTGZDISHKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-7-12(9-15)17-14(16-10)8-11-5-3-4-6-13(11)18-2/h3-7H,8-9,15H2,1-2H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine?
[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 62743741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).