N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine

C12H13N3O — CID 66714164

IUPACN-(3-methoxyphenyl)-4-methylpyrimidin-5-amine
SMILESCOc1cccc(Nc2cncnc2C)c1
InChIInChI=1S/C12H13N3O/c1-9-12(7-13-8-14-9)15-10-4-3-5-11(6-10)16-2/h3-8,15H,1-2H3
InChIKeyUWVVUMZUNYFEHH-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.54
Rot. Bonds3

About N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine

N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine (PubChem CID 66714164) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-methylpyrimidin-5-amine
PubChem CID66714164
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(3-methoxyphenyl)-4-methylpyrimidin-5-amine
SMILESCOc1cccc(Nc2cncnc2C)c1
InChIInChI=1S/C12H13N3O/c1-9-12(7-13-8-14-9)15-10-4-3-5-11(6-10)16-2/h3-8,15H,1-2H3
InChIKeyUWVVUMZUNYFEHH-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
CID 63077298
5-fluoro-2-methoxy-N-(3-methoxyphenyl)aniline
CID 82537043
N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71737449
6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine
CID 106947587
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
N-(3-methoxyphenyl)furo[3,2-c][1,8]naphthyridin-9-amine
CID 46848730
4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride
CID 22417967
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine (CID 66714164) is N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine is COc1cccc(Nc2cncnc2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine?
The InChIKey is UWVVUMZUNYFEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-12(7-13-8-14-9)15-10-4-3-5-11(6-10)16-2/h3-8,15H,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine?
N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine has a molecular weight of 215.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine is sourced from PubChem (CID 66714164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).