4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine

C16H18N6S — CID 97071569

IUPAC4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
SMILESCc1ccc([C@@H]2CCCN2c2ncnc(-n3cccn3)c2N)s1
InChIInChI=1S/C16H18N6S/c1-11-5-6-13(23-11)12-4-2-8-21(12)15-14(17)16(19-10-18-15)22-9-3-7-20-22/h3,5-7,9-10,12H,2,4,8,17H2,1H3/t12-/m0/s1
InChIKeyUYGUMLBTQWXVSH-LBPRGKRZSA-N
MW326.43 g/mol
LogP2.96
Rot. Bonds3

About 4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine

4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine (PubChem CID 97071569) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
PubChem CID97071569
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
SMILESCc1ccc([C@@H]2CCCN2c2ncnc(-n3cccn3)c2N)s1
InChIInChI=1S/C16H18N6S/c1-11-5-6-13(23-11)12-4-2-8-21(12)15-14(17)16(19-10-18-15)22-9-3-7-20-22/h3,5-7,9-10,12H,2,4,8,17H2,1H3/t12-/m0/s1
InChIKeyUYGUMLBTQWXVSH-LBPRGKRZSA-N
XLogP2.96
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine?
The IUPAC name of 4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine (CID 97071569) is 4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine.
What is the SMILES notation for 4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine?
The canonical SMILES for 4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine is Cc1ccc([C@@H]2CCCN2c2ncnc(-n3cccn3)c2N)s1.
What is the InChIKey of 4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine?
The InChIKey is UYGUMLBTQWXVSH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N6S/c1-11-5-6-13(23-11)12-4-2-8-21(12)15-14(17)16(19-10-18-15)22-9-3-7-20-22/h3,5-7,9-10,12H,2,4,8,17H2,1H3/t12-/m0/s1.
What are the key properties of 4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine?
4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine has a molecular weight of 326.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine is sourced from PubChem (CID 97071569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).