[6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine

C13H14ClN3O — CID 116857617

IUPAC[6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)nc(C)n2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-8-16-10(7-15)6-12(17-8)9-3-4-13(18-2)11(14)5-9/h3-6H,7,15H2,1-2H3
InChIKeyJYIJTZDUGWBHIZ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.57
Rot. Bonds3

About [6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine

[6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine (PubChem CID 116857617) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is [6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine
PubChem CID116857617
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name[6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)nc(C)n2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-8-16-10(7-15)6-12(17-8)9-3-4-13(18-2)11(14)5-9/h3-6H,7,15H2,1-2H3
InChIKeyJYIJTZDUGWBHIZ-UHFFFAOYSA-N
XLogP2.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine
CID 82303495
[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine
CID 28908693
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057
2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82298298
4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine
CID 82291455
[6-(1,3-benzodioxol-5-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857624
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 167489856
5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine
CID 82482114
4-chloro-2-(3-chloro-4-methoxyphenyl)quinoline
CID 18432969
2-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82481625
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167

Frequently Asked Questions

What is the IUPAC name of [6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine (CID 116857617) is [6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine is COc1ccc(-c2cc(CN)nc(C)n2)cc1Cl.
What is the InChIKey of [6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine?
The InChIKey is JYIJTZDUGWBHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-16-10(7-15)6-12(17-8)9-3-4-13(18-2)11(14)5-9/h3-6H,7,15H2,1-2H3.
What are the key properties of [6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine?
[6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine has a molecular weight of 263.73 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 116857617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).