[4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine

C13H15N3O — CID 83893690

IUPAC[4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine
SMILESCOc1nc(-c2cccc(C)c2)ncc1CN
InChIInChI=1S/C13H15N3O/c1-9-4-3-5-10(6-9)12-15-8-11(7-14)13(16-12)17-2/h3-6,8H,7,14H2,1-2H3
InChIKeyPIWFTVNAWFKKDX-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.92
Rot. Bonds3

About [4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine

[4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine (PubChem CID 83893690) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine
PubChem CID83893690
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine
SMILESCOc1nc(-c2cccc(C)c2)ncc1CN
InChIInChI=1S/C13H15N3O/c1-9-4-3-5-10(6-9)12-15-8-11(7-14)13(16-12)17-2/h3-6,8H,7,14H2,1-2H3
InChIKeyPIWFTVNAWFKKDX-UHFFFAOYSA-N
XLogP1.92
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine
CID 83821536
5-methoxy-2-(3-methylphenyl)pyrimidine
CID 91581567
2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 117225486
2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid
CID 117225482
methyl 2-[4-chloro-2-(3-methylphenyl)pyrimidin-5-yl]acetate
CID 117225358
4-(methoxymethyl)-6-methyl-2-(3-methylphenyl)pyrimidine
CID 142147287
2-(3-methylphenyl)-4-phenyl-1,3,5-triazine
CID 134408534
5-(aminomethyl)-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 114016280
N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212373
5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 119103240
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
[1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 105469022

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine (CID 83893690) is [4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine is COc1nc(-c2cccc(C)c2)ncc1CN.
What is the InChIKey of [4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine?
The InChIKey is PIWFTVNAWFKKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-4-3-5-10(6-9)12-15-8-11(7-14)13(16-12)17-2/h3-6,8H,7,14H2,1-2H3.
What are the key properties of [4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine?
[4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83893690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).