5-methoxy-2-(3-methylphenyl)pyrimidine

C12H12N2O — CID 91581567

IUPAC5-methoxy-2-(3-methylphenyl)pyrimidine
SMILESCOc1cnc(-c2cccc(C)c2)nc1
InChIInChI=1S/C12H12N2O/c1-9-4-3-5-10(6-9)12-13-7-11(15-2)8-14-12/h3-8H,1-2H3
InChIKeyMACGJFNSCGHQQU-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.46
Rot. Bonds2

About 5-methoxy-2-(3-methylphenyl)pyrimidine

5-methoxy-2-(3-methylphenyl)pyrimidine (PubChem CID 91581567) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-methoxy-2-(3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name5-methoxy-2-(3-methylphenyl)pyrimidine
PubChem CID91581567
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name5-methoxy-2-(3-methylphenyl)pyrimidine
SMILESCOc1cnc(-c2cccc(C)c2)nc1
InChIInChI=1S/C12H12N2O/c1-9-4-3-5-10(6-9)12-13-7-11(15-2)8-14-12/h3-8H,1-2H3
InChIKeyMACGJFNSCGHQQU-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

2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
[3-(5-methoxypyrimidin-2-yl)phenyl]methanol
CID 155039512
N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine
CID 117231174
2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 20652055
5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine
CID 83821536
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
2-(3,4-dichlorophenyl)-5-methoxypyrimidine
CID 118808074
2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol
CID 117230603
[4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine
CID 83893690
5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidine
CID 150700013
2-(3-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 83886658
4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine
CID 118912795

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-methylphenyl)pyrimidine?
The IUPAC name of 5-methoxy-2-(3-methylphenyl)pyrimidine (CID 91581567) is 5-methoxy-2-(3-methylphenyl)pyrimidine.
What is the SMILES notation for 5-methoxy-2-(3-methylphenyl)pyrimidine?
The canonical SMILES for 5-methoxy-2-(3-methylphenyl)pyrimidine is COc1cnc(-c2cccc(C)c2)nc1.
What is the InChIKey of 5-methoxy-2-(3-methylphenyl)pyrimidine?
The InChIKey is MACGJFNSCGHQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-4-3-5-10(6-9)12-13-7-11(15-2)8-14-12/h3-8H,1-2H3.
What are the key properties of 5-methoxy-2-(3-methylphenyl)pyrimidine?
5-methoxy-2-(3-methylphenyl)pyrimidine 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 5-methoxy-2-(3-methylphenyl)pyrimidine is sourced from PubChem (CID 91581567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).