N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine

C12H13N5S — CID 102686273

IUPACN-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCCn1cc(Nc2ncnc3c(C)csc23)cn1
InChIInChI=1S/C12H13N5S/c1-3-17-5-9(4-15-17)16-12-11-10(13-7-14-12)8(2)6-18-11/h4-7H,3H2,1-2H3,(H,13,14,16)
InChIKeyDGTUHMQYBQXTKO-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.96
Rot. Bonds3

About N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine

N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686273) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686273
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC NameN-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCCn1cc(Nc2ncnc3c(C)csc23)cn1
InChIInChI=1S/C12H13N5S/c1-3-17-5-9(4-15-17)16-12-11-10(13-7-14-12)8(2)6-18-11/h4-7H,3H2,1-2H3,(H,13,14,16)
InChIKeyDGTUHMQYBQXTKO-UHFFFAOYSA-N
XLogP2.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43543730
N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686671
7-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686598
7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686676
7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686212
N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 114164376
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 102686545
N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686679
3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol
CID 102686564
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718992
N-(1-ethylpyrazol-4-yl)-3,5-difluoropyridin-2-amine
CID 112675617
N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102686273) is N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine is CCn1cc(Nc2ncnc3c(C)csc23)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DGTUHMQYBQXTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-3-17-5-9(4-15-17)16-12-11-10(13-7-14-12)8(2)6-18-11/h4-7H,3H2,1-2H3,(H,13,14,16).
What are the key properties of N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 259.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).