2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine

C16H17N5 — CID 867936

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine
SMILESCc1cc(C)nc(-n2nc(C)cc2Nc2ccccc2)n1
InChIInChI=1S/C16H17N5/c1-11-9-12(2)18-16(17-11)21-15(10-13(3)20-21)19-14-7-5-4-6-8-14/h4-10,19H,1-3H3
InChIKeyUDUZSGBDEHXQHL-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.33
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine

2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine (PubChem CID 867936) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine
PubChem CID867936
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine
SMILESCc1cc(C)nc(-n2nc(C)cc2Nc2ccccc2)n1
InChIInChI=1S/C16H17N5/c1-11-9-12(2)18-16(17-11)21-15(10-13(3)20-21)19-14-7-5-4-6-8-14/h4-10,19H,1-3H3
InChIKeyUDUZSGBDEHXQHL-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 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine (CID 867936) is 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine is Cc1cc(C)nc(-n2nc(C)cc2Nc2ccccc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine?
The InChIKey is UDUZSGBDEHXQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11-9-12(2)18-16(17-11)21-15(10-13(3)20-21)19-14-7-5-4-6-8-14/h4-10,19H,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine?
2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-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 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine is sourced from PubChem (CID 867936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).