[6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine

C12H13N3O — CID 28904662

IUPAC[6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine
SMILESCOc1cccc(-c2cc(CN)ncn2)c1
InChIInChI=1S/C12H13N3O/c1-16-11-4-2-3-9(5-11)12-6-10(7-13)14-8-15-12/h2-6,8H,7,13H2,1H3
InChIKeyDAFNDCQIZQXKNJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.61
Rot. Bonds3

About [6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine

[6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine (PubChem CID 28904662) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is [6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine
PubChem CID28904662
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name[6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine
SMILESCOc1cccc(-c2cc(CN)ncn2)c1
InChIInChI=1S/C12H13N3O/c1-16-11-4-2-3-9(5-11)12-6-10(7-13)14-8-15-12/h2-6,8H,7,13H2,1H3
InChIKeyDAFNDCQIZQXKNJ-UHFFFAOYSA-N
XLogP1.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)-6-methylpyrimidine
CID 58973518
[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine
CID 83850253
(6-pyridin-3-ylpyrimidin-4-yl)methanamine
CID 82405865
4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine
CID 74242452
4-isothiocyanato-6-(3-methoxyphenyl)pyrimidine
CID 57476563
[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine
CID 28908778
[4-(3-methoxyphenyl)phenyl]methanamine;hydrochloride
CID 71432523
[2-(3-methoxyphenyl)-3-pyridinyl]methanamine
CID 82508828
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine
CID 118912795

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine (CID 28904662) is [6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine is COc1cccc(-c2cc(CN)ncn2)c1.
What is the InChIKey of [6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine?
The InChIKey is DAFNDCQIZQXKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-11-4-2-3-9(5-11)12-6-10(7-13)14-8-15-12/h2-6,8H,7,13H2,1H3.
What are the key properties of [6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine?
[6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine has a molecular weight of 215.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 28904662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).