N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine

C21H19N5O — CID 3365524

IUPACN-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-n3nc(C)cc3-c3ccccc3)ncn2)cc1
InChIInChI=1S/C21H19N5O/c1-15-12-19(16-6-4-3-5-7-16)26(25-15)21-13-20(22-14-23-21)24-17-8-10-18(27-2)11-9-17/h3-14H,1-2H3,(H,22,23,24)
InChIKeyZXVSMULWVXLCBL-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.39
Rot. Bonds5

About N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine

N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 3365524) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID3365524
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-n3nc(C)cc3-c3ccccc3)ncn2)cc1
InChIInChI=1S/C21H19N5O/c1-15-12-19(16-6-4-3-5-7-16)26(25-15)21-13-20(22-14-23-21)24-17-8-10-18(27-2)11-9-17/h3-14H,1-2H3,(H,22,23,24)
InChIKeyZXVSMULWVXLCBL-UHFFFAOYSA-N
XLogP4.39
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 100641017
2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135498029
6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine
CID 3133614
1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58976644
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 6084975
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
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenylhydrazine
CID 3091883
4-N-(3,5-dimethylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865267
4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 1069507
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

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine (CID 3365524) is N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine is COc1ccc(Nc2cc(-n3nc(C)cc3-c3ccccc3)ncn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is ZXVSMULWVXLCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-15-12-19(16-6-4-3-5-7-16)26(25-15)21-13-20(22-14-23-21)24-17-8-10-18(27-2)11-9-17/h3-14H,1-2H3,(H,22,23,24).
What are the key properties of N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 357.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 3365524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).