1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine

C21H20N6 — CID 2330518

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine
SMILESCc1cc(C)nc(-n2nc(Nc3ccccc3)cc2Nc2ccccc2)n1
InChIInChI=1S/C21H20N6/c1-15-13-16(2)23-21(22-15)27-20(25-18-11-7-4-8-12-18)14-19(26-27)24-17-9-5-3-6-10-17/h3-14,25H,1-2H3,(H,24,26)
InChIKeySRUGDLGCDRMHMW-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.77
Rot. Bonds5

About 1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine

1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine (PubChem CID 2330518) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine
PubChem CID2330518
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine
SMILESCc1cc(C)nc(-n2nc(Nc3ccccc3)cc2Nc2ccccc2)n1
InChIInChI=1S/C21H20N6/c1-15-13-16(2)23-21(22-15)27-20(25-18-11-7-4-8-12-18)14-19(26-27)24-17-9-5-3-6-10-17/h3-14,25H,1-2H3,(H,24,26)
InChIKeySRUGDLGCDRMHMW-UHFFFAOYSA-N
XLogP4.77
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine (CID 2330518) is 1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine is Cc1cc(C)nc(-n2nc(Nc3ccccc3)cc2Nc2ccccc2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine?
The InChIKey is SRUGDLGCDRMHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-15-13-16(2)23-21(22-15)27-20(25-18-11-7-4-8-12-18)14-19(26-27)24-17-9-5-3-6-10-17/h3-14,25H,1-2H3,(H,24,26).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine?
1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine has a molecular weight of 356.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-N,5-N-diphenylpyrazole-3,5-diamine is sourced from PubChem (CID 2330518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).