5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C12H13N5S — CID 54897353

IUPAC5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCc3cn[nH]c3)c2c1C
InChIInChI=1S/C12H13N5S/c1-7-8(2)18-12-10(7)11(14-6-15-12)13-3-9-4-16-17-5-9/h4-6H,3H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyHURKQFSATQSURA-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.64
Rot. Bonds3

About 5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 54897353) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID54897353
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCc3cn[nH]c3)c2c1C
InChIInChI=1S/C12H13N5S/c1-7-8(2)18-12-10(7)11(14-6-15-12)13-3-9-4-16-17-5-9/h4-6H,3H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyHURKQFSATQSURA-UHFFFAOYSA-N
XLogP2.64
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60964837
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60706733
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541
N-[(4-bromothiophen-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60965281
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
1-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 106244472
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 113282648
5,6-dimethyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60902999
5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 114174333
5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 52679182

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 54897353) is 5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCc3cn[nH]c3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HURKQFSATQSURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-7-8(2)18-12-10(7)11(14-6-15-12)13-3-9-4-16-17-5-9/h4-6H,3H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54897353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).