2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine

C18H21N5 — CID 7679768

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H21N5/c1-4-10-19-17-12-16(15-8-6-5-7-9-15)20-18(21-17)23-14(3)11-13(2)22-23/h5-9,11-12H,4,10H2,1-3H3,(H,19,20,21)
InChIKeyZOFMCGGSIQHTQG-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.77
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine (PubChem CID 7679768) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine
PubChem CID7679768
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H21N5/c1-4-10-19-17-12-16(15-8-6-5-7-9-15)20-18(21-17)23-14(3)11-13(2)22-23/h5-9,11-12H,4,10H2,1-3H3,(H,19,20,21)
InChIKeyZOFMCGGSIQHTQG-UHFFFAOYSA-N
XLogP3.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine (CID 7679768) is 2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccccc2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine?
The InChIKey is ZOFMCGGSIQHTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-4-10-19-17-12-16(15-8-6-5-7-9-15)20-18(21-17)23-14(3)11-13(2)22-23/h5-9,11-12H,4,10H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 7679768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).