5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C15H19N5S — CID 95891617

IUPAC5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(N[C@@H](C)Cc2cncs2)n2nccc2n1
InChIInChI=1S/C15H19N5S/c1-10(2)13-7-15(20-14(19-13)4-5-17-20)18-11(3)6-12-8-16-9-21-12/h4-5,7-11,18H,6H2,1-3H3/t11-/m0/s1
InChIKeyDNXZUXIJVIMQCD-NSHDSACASA-N
MW301.42 g/mol
LogP3.35
Rot. Bonds5

About 5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95891617) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95891617
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(N[C@@H](C)Cc2cncs2)n2nccc2n1
InChIInChI=1S/C15H19N5S/c1-10(2)13-7-15(20-14(19-13)4-5-17-20)18-11(3)6-12-8-16-9-21-12/h4-5,7-11,18H,6H2,1-3H3/t11-/m0/s1
InChIKeyDNXZUXIJVIMQCD-NSHDSACASA-N
XLogP3.35
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 95891617) is 5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(N[C@@H](C)Cc2cncs2)n2nccc2n1.
What is the InChIKey of 5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DNXZUXIJVIMQCD-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5S/c1-10(2)13-7-15(20-14(19-13)4-5-17-20)18-11(3)6-12-8-16-9-21-12/h4-5,7-11,18H,6H2,1-3H3/t11-/m0/s1.
What are the key properties of 5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 301.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95891617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).