6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine

C15H16N6O — CID 100641017

IUPAC6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-n3nc(C)cc3N)ncn2)cc1
InChIInChI=1S/C15H16N6O/c1-10-7-13(16)21(20-10)15-8-14(17-9-18-15)19-11-3-5-12(22-2)6-4-11/h3-9H,16H2,1-2H3,(H,17,18,19)
InChIKeyJQOZIANKCRWAOW-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.31
Rot. Bonds4

About 6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine

6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine (PubChem CID 100641017) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
PubChem CID100641017
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-n3nc(C)cc3N)ncn2)cc1
InChIInChI=1S/C15H16N6O/c1-10-7-13(16)21(20-10)15-8-14(17-9-18-15)19-11-3-5-12(22-2)6-4-11/h3-9H,16H2,1-2H3,(H,17,18,19)
InChIKeyJQOZIANKCRWAOW-UHFFFAOYSA-N
XLogP2.31
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 3365524
6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine
CID 3106990
1-[1-[6-(4-methoxyanilino)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4972505
4-N-(3,5-dimethylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865267
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 155975164
1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58976644
2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine
CID 45480472
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 112863738
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866265

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine (CID 100641017) is 6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine is COc1ccc(Nc2cc(-n3nc(C)cc3N)ncn2)cc1.
What is the InChIKey of 6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is JQOZIANKCRWAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-10-7-13(16)21(20-10)15-8-14(17-9-18-15)19-11-3-5-12(22-2)6-4-11/h3-9H,16H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine?
6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 296.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 100641017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).