2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C13H18N4S — CID 70777576

IUPAC2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCSC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C13H18N4S/c1-8-6-12(15-11-4-5-18-7-11)17-13(14-8)9(2)10(3)16-17/h6,11,15H,4-5,7H2,1-3H3
InChIKeyZWQOPWIYKHSRPS-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.57
Rot. Bonds2

About 2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70777576) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70777576
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCSC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C13H18N4S/c1-8-6-12(15-11-4-5-18-7-11)17-13(14-8)9(2)10(3)16-17/h6,11,15H,4-5,7H2,1-3H3
InChIKeyZWQOPWIYKHSRPS-UHFFFAOYSA-N
XLogP2.57
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol
CID 115925984
N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46299374
5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 162630201
N-cyclopropyl-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126491418
7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158586820
N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide
CID 70710220
2,3,5-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56917582
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56913756
6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile
CID 107545432
3-methyl-N-(thiolan-3-yl)triazol-4-amine
CID 130486465
N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide
CID 70753874
(3S)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95881164

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 70777576) is 2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCSC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZWQOPWIYKHSRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8-6-12(15-11-4-5-18-7-11)17-13(14-8)9(2)10(3)16-17/h6,11,15H,4-5,7H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 262.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70777576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).