2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine

C16H21N5S — CID 168868709

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC(CC)Nc1nc(-n2nc(C)cc2C)nc2sccc12
InChIInChI=1S/C16H21N5S/c1-5-12(6-2)17-14-13-7-8-22-15(13)19-16(18-14)21-11(4)9-10(3)20-21/h7-9,12H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyUJAUPKDIGHMDAE-UHFFFAOYSA-N
MW315.45 g/mol
LogP4.09
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 168868709) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID168868709
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC(CC)Nc1nc(-n2nc(C)cc2C)nc2sccc12
InChIInChI=1S/C16H21N5S/c1-5-12(6-2)17-14-13-7-8-22-15(13)19-16(18-14)21-11(4)9-10(3)20-21/h7-9,12H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyUJAUPKDIGHMDAE-UHFFFAOYSA-N
XLogP4.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine (CID 168868709) is 2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine is CCC(CC)Nc1nc(-n2nc(C)cc2C)nc2sccc12.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UJAUPKDIGHMDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-5-12(6-2)17-14-13-7-8-22-15(13)19-16(18-14)21-11(4)9-10(3)20-21/h7-9,12H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 315.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 168868709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).