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

C16H17N5 — CID 791111

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1
InChIInChI=1S/C16H17N5/c1-11-4-6-14(7-5-11)19-15-9-16(18-10-17-15)21-13(3)8-12(2)20-21/h4-10H,1-3H3,(H,17,18,19)
InChIKeyJFEKPMKGHSALHL-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.33
Rot. Bonds3

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

6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 791111) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)pyrimidin-4-amine
PubChem CID791111
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1
InChIInChI=1S/C16H17N5/c1-11-4-6-14(7-5-11)19-15-9-16(18-10-17-15)21-13(3)8-12(2)20-21/h4-10H,1-3H3,(H,17,18,19)
InChIKeyJFEKPMKGHSALHL-UHFFFAOYSA-N
XLogP3.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)pyrimidin-4-amine (CID 791111) is 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)pyrimidin-4-amine is Cc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is JFEKPMKGHSALHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11-4-6-14(7-5-11)19-15-9-16(18-10-17-15)21-13(3)8-12(2)20-21/h4-10H,1-3H3,(H,17,18,19).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)pyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 791111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).