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

C16H17N5O — CID 791108

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1
InChIInChI=1S/C16H17N5O/c1-11-8-12(2)21(20-11)16-9-15(17-10-18-16)19-13-4-6-14(22-3)7-5-13/h4-10H,1-3H3,(H,17,18,19)
InChIKeyALKNHPTWYBJECR-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.03
Rot. Bonds4

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

6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine (PubChem CID 791108) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
PubChem CID791108
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1
InChIInChI=1S/C16H17N5O/c1-11-8-12(2)21(20-11)16-9-15(17-10-18-16)19-13-4-6-14(22-3)7-5-13/h4-10H,1-3H3,(H,17,18,19)
InChIKeyALKNHPTWYBJECR-UHFFFAOYSA-N
XLogP3.03
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine (CID 791108) is 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine is COc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is ALKNHPTWYBJECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-8-12(2)21(20-11)16-9-15(17-10-18-16)19-13-4-6-14(22-3)7-5-13/h4-10H,1-3H3,(H,17,18,19).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 295.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 791108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).