5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine

C12H12N4S — CID 79106358

IUPAC5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nn3cccc3)c2c1C
InChIInChI=1S/C12H12N4S/c1-8-9(2)17-12-10(8)11(13-7-14-12)15-16-5-3-4-6-16/h3-7H,1-2H3,(H,13,14,15)
InChIKeyXHKSCKREKOLMQN-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.98
Rot. Bonds2

About 5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 79106358) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID79106358
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nn3cccc3)c2c1C
InChIInChI=1S/C12H12N4S/c1-8-9(2)17-12-10(8)11(13-7-14-12)15-16-5-3-4-6-16/h3-7H,1-2H3,(H,13,14,15)
InChIKeyXHKSCKREKOLMQN-UHFFFAOYSA-N
XLogP2.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 731283
N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 712429
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541
5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 114174333
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 769518
N-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 731293
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 705281

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine (CID 79106358) is 5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(Nn3cccc3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XHKSCKREKOLMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8-9(2)17-12-10(8)11(13-7-14-12)15-16-5-3-4-6-16/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 244.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 79106358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).