5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine

C12H13N3O — CID 82284670

IUPAC5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2c(C)ncnc2N)cc1
InChIInChI=1S/C12H13N3O/c1-8-11(12(13)15-7-14-8)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyDCQUYDRTRTUIQT-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.04
Rot. Bonds2

About 5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine

5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine (PubChem CID 82284670) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
PubChem CID82284670
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2c(C)ncnc2N)cc1
InChIInChI=1S/C12H13N3O/c1-8-11(12(13)15-7-14-8)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyDCQUYDRTRTUIQT-UHFFFAOYSA-N
XLogP2.04
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine
CID 82293098
6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870116
5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 82298713
8-(4-methoxyphenyl)-9-methylpurin-6-amine
CID 69468314
4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 75530669
6-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116822966
6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17190652
4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol
CID 142215831
6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine
CID 10271893
5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 10272361
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 6539992
5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine
CID 12060375

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine (CID 82284670) is 5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine is COc1ccc(-c2c(C)ncnc2N)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is DCQUYDRTRTUIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-11(12(13)15-7-14-8)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 215.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 82284670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).