5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine

C16H19N5S — CID 68885981

IUPAC5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine
SMILESCCCCc1[nH]nc(-c2ncc(C)c(-c3cccs3)n2)c1N
InChIInChI=1S/C16H19N5S/c1-3-4-6-11-13(17)15(21-20-11)16-18-9-10(2)14(19-16)12-7-5-8-22-12/h5,7-9H,3-4,6,17H2,1-2H3,(H,20,21)
InChIKeyPRRMMGOPXVPDPZ-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.83
Rot. Bonds5

About 5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine

5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine (PubChem CID 68885981) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine
PubChem CID68885981
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine
SMILESCCCCc1[nH]nc(-c2ncc(C)c(-c3cccs3)n2)c1N
InChIInChI=1S/C16H19N5S/c1-3-4-6-11-13(17)15(21-20-11)16-18-9-10(2)14(19-16)12-7-5-8-22-12/h5,7-9H,3-4,6,17H2,1-2H3,(H,20,21)
InChIKeyPRRMMGOPXVPDPZ-UHFFFAOYSA-N
XLogP3.83
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine (CID 68885981) is 5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine is CCCCc1[nH]nc(-c2ncc(C)c(-c3cccs3)n2)c1N.
What is the InChIKey of 5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine?
The InChIKey is PRRMMGOPXVPDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-3-4-6-11-13(17)15(21-20-11)16-18-9-10(2)14(19-16)12-7-5-8-22-12/h5,7-9H,3-4,6,17H2,1-2H3,(H,20,21).
What are the key properties of 5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine?
5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine has a molecular weight of 313.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 68885981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).