2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine

C17H19N5O — CID 662572

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C17H19N5O/c1-11-10-16(19-14-5-7-15(23-4)8-6-14)20-17(18-11)22-13(3)9-12(2)21-22/h5-10H,1-4H3,(H,18,19,20)
InChIKeyQDEGMPXTGWEAPT-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.34
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine (PubChem CID 662572) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
PubChem CID662572
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C17H19N5O/c1-11-10-16(19-14-5-7-15(23-4)8-6-14)20-17(18-11)22-13(3)9-12(2)21-22/h5-10H,1-4H3,(H,18,19,20)
InChIKeyQDEGMPXTGWEAPT-UHFFFAOYSA-N
XLogP3.34
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine (CID 662572) is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine is COc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is QDEGMPXTGWEAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-10-16(19-14-5-7-15(23-4)8-6-14)20-17(18-11)22-13(3)9-12(2)21-22/h5-10H,1-4H3,(H,18,19,20).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 662572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).