1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine

C11H11N5S — CID 142691977

IUPAC1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(N)nc(-c3cccs3)nc12
InChIInChI=1S/C11H11N5S/c1-6-8-9(16(2)15-6)10(12)14-11(13-8)7-4-3-5-17-7/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyQSTCWHGEGUPPTR-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.98
Rot. Bonds1

About 1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine

1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 142691977) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID142691977
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(N)nc(-c3cccs3)nc12
InChIInChI=1S/C11H11N5S/c1-6-8-9(16(2)15-6)10(12)14-11(13-8)7-4-3-5-17-7/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyQSTCWHGEGUPPTR-UHFFFAOYSA-N
XLogP1.98
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733759
9-propan-2-yl-2-thiophen-2-ylpurin-6-amine
CID 117090774
4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine
CID 62732446
3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733008
4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 63654749
3-methyl-4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62734324
1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
CID 4737047
4,5-difluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62867498
3-bromo-1-methyl-5-thiophen-2-yl-1,2,4-triazole
CID 135039838
(5,6-dimethyl-2-thiophen-2-ylpyrimidin-4-yl)hydrazine
CID 62250157
2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol
CID 127046438
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine (CID 142691977) is 1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine is Cc1nn(C)c2c(N)nc(-c3cccs3)nc12.
What is the InChIKey of 1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is QSTCWHGEGUPPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-6-8-9(16(2)15-6)10(12)14-11(13-8)7-4-3-5-17-7/h3-5H,1-2H3,(H2,12,13,14).
What are the key properties of 1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 245.31 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 142691977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).