4-(3-methoxyphenyl)-6-methylpyrimidine

C12H12N2O — CID 58973518

IUPAC4-(3-methoxyphenyl)-6-methylpyrimidine
SMILESCOc1cccc(-c2cc(C)ncn2)c1
InChIInChI=1S/C12H12N2O/c1-9-6-12(14-8-13-9)10-4-3-5-11(7-10)15-2/h3-8H,1-2H3
InChIKeyHGFYETGIZAKKMF-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.46
Rot. Bonds2

About 4-(3-methoxyphenyl)-6-methylpyrimidine

4-(3-methoxyphenyl)-6-methylpyrimidine (PubChem CID 58973518) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-6-methylpyrimidine
PubChem CID58973518
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-(3-methoxyphenyl)-6-methylpyrimidine
SMILESCOc1cccc(-c2cc(C)ncn2)c1
InChIInChI=1S/C12H12N2O/c1-9-6-12(14-8-13-9)10-4-3-5-11(7-10)15-2/h3-8H,1-2H3
InChIKeyHGFYETGIZAKKMF-UHFFFAOYSA-N
XLogP2.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine
CID 28904662
4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
CID 116897003
4-isothiocyanato-6-(3-methoxyphenyl)pyrimidine
CID 57476563
4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine
CID 118912795
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine
CID 175884785
3-(3-methoxyphenyl)-1-methyl-N-[(6-methylpyrimidin-4-yl)methyl]pyrazole-5-carboxamide
CID 122263527
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine
CID 21259166
1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
CID 116896700

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-6-methylpyrimidine?
The IUPAC name of 4-(3-methoxyphenyl)-6-methylpyrimidine (CID 58973518) is 4-(3-methoxyphenyl)-6-methylpyrimidine.
What is the SMILES notation for 4-(3-methoxyphenyl)-6-methylpyrimidine?
The canonical SMILES for 4-(3-methoxyphenyl)-6-methylpyrimidine is COc1cccc(-c2cc(C)ncn2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-6-methylpyrimidine?
The InChIKey is HGFYETGIZAKKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-6-12(14-8-13-9)10-4-3-5-11(7-10)15-2/h3-8H,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-6-methylpyrimidine?
4-(3-methoxyphenyl)-6-methylpyrimidine has a molecular weight of 200.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-6-methylpyrimidine is sourced from PubChem (CID 58973518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).