N-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C13H15N5S — CID 43543730

IUPACN-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCn1cc(Nc2ncnc3sc(C)c(C)c23)cn1
InChIInChI=1S/C13H15N5S/c1-4-18-6-10(5-16-18)17-12-11-8(2)9(3)19-13(11)15-7-14-12/h5-7H,4H2,1-3H3,(H,14,15,17)
InChIKeyCOKLIEMHZAAUBC-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.27
Rot. Bonds3

About N-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 43543730) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID43543730
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC NameN-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCn1cc(Nc2ncnc3sc(C)c(C)c23)cn1
InChIInChI=1S/C13H15N5S/c1-4-18-6-10(5-16-18)17-12-11-8(2)9(3)19-13(11)15-7-14-12/h5-7H,4H2,1-3H3,(H,14,15,17)
InChIKeyCOKLIEMHZAAUBC-UHFFFAOYSA-N
XLogP3.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
N-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 731293
N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686273
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine
CID 9409217
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
N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 769518
4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide
CID 8934330
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-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 28695534

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 43543730) is N-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCn1cc(Nc2ncnc3sc(C)c(C)c23)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is COKLIEMHZAAUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-4-18-6-10(5-16-18)17-12-11-8(2)9(3)19-13(11)15-7-14-12/h5-7H,4H2,1-3H3,(H,14,15,17).
What are the key properties of N-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 273.37 g/mol, XLogP of 3.27, 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)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43543730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).