4-(5-methoxypyrimidin-2-yl)-N-methylaniline

C12H13N3O — CID 156821520

IUPAC4-(5-methoxypyrimidin-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2ncc(OC)cn2)cc1
InChIInChI=1S/C12H13N3O/c1-13-10-5-3-9(4-6-10)12-14-7-11(16-2)8-15-12/h3-8,13H,1-2H3
InChIKeyCQJNSTXGJXXHBT-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.19
Rot. Bonds3

About 4-(5-methoxypyrimidin-2-yl)-N-methylaniline

4-(5-methoxypyrimidin-2-yl)-N-methylaniline (PubChem CID 156821520) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(5-methoxypyrimidin-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(5-methoxypyrimidin-2-yl)-N-methylaniline
PubChem CID156821520
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-(5-methoxypyrimidin-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2ncc(OC)cn2)cc1
InChIInChI=1S/C12H13N3O/c1-13-10-5-3-9(4-6-10)12-14-7-11(16-2)8-15-12/h3-8,13H,1-2H3
InChIKeyCQJNSTXGJXXHBT-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-fluoropyrimidin-2-yl)-N-methylaniline
CID 156821684
N-methyl-4-pyrimidin-2-ylaniline
CID 59619192
[4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid
CID 142404996
2-(3-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 83886658
5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine
CID 155917002
2-(3,4-dichlorophenyl)-5-methoxypyrimidine
CID 118808074
2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine
CID 162635633
5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine
CID 54233658
5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine
CID 62756442
5-methoxy-2-(3-methylphenyl)pyrimidine
CID 91581567
5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116976946
4-(6-methoxyquinolin-2-yl)-N-methylaniline
CID 46931568

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxypyrimidin-2-yl)-N-methylaniline?
The IUPAC name of 4-(5-methoxypyrimidin-2-yl)-N-methylaniline (CID 156821520) is 4-(5-methoxypyrimidin-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(5-methoxypyrimidin-2-yl)-N-methylaniline?
The canonical SMILES for 4-(5-methoxypyrimidin-2-yl)-N-methylaniline is CNc1ccc(-c2ncc(OC)cn2)cc1.
What is the InChIKey of 4-(5-methoxypyrimidin-2-yl)-N-methylaniline?
The InChIKey is CQJNSTXGJXXHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-13-10-5-3-9(4-6-10)12-14-7-11(16-2)8-15-12/h3-8,13H,1-2H3.
What are the key properties of 4-(5-methoxypyrimidin-2-yl)-N-methylaniline?
4-(5-methoxypyrimidin-2-yl)-N-methylaniline has a molecular weight of 215.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxypyrimidin-2-yl)-N-methylaniline is sourced from PubChem (CID 156821520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).