2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine

C16H15N9 — CID 72945320

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(Nc3ncccn3)cc(-n3cccn3)n2)n1
InChIInChI=1S/C16H15N9/c1-11-9-12(2)25(23-11)16-21-13(20-15-17-5-3-6-18-15)10-14(22-16)24-8-4-7-19-24/h3-10H,1-2H3,(H,17,18,20,21,22)
InChIKeyCKDAJCBYXUGAGT-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.00
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 72945320) has the molecular formula C16H15N9 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine
PubChem CID72945320
Molecular FormulaC16H15N9
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(Nc3ncccn3)cc(-n3cccn3)n2)n1
InChIInChI=1S/C16H15N9/c1-11-9-12(2)25(23-11)16-21-13(20-15-17-5-3-6-18-15)10-14(22-16)24-8-4-7-19-24/h3-10H,1-2H3,(H,17,18,20,21,22)
InChIKeyCKDAJCBYXUGAGT-UHFFFAOYSA-N
XLogP2.00
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine (CID 72945320) is 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine is Cc1cc(C)n(-c2nc(Nc3ncccn3)cc(-n3cccn3)n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine?
The InChIKey is CKDAJCBYXUGAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N9/c1-11-9-12(2)25(23-11)16-21-13(20-15-17-5-3-6-18-15)10-14(22-16)24-8-4-7-19-24/h3-10H,1-2H3,(H,17,18,20,21,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine has a molecular weight of 333.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 72945320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).