6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine

C12H13N5S — CID 47054747

IUPAC6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3cnn(C)c3)ncnc2s1
InChIInChI=1S/C12H13N5S/c1-3-9-4-10-11(13-7-14-12(10)18-9)16-8-5-15-17(2)6-8/h4-7H,3H2,1-2H3,(H,13,14,16)
InChIKeyUSWBTWDNBLCANN-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.73
Rot. Bonds3

About 6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 47054747) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID47054747
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3cnn(C)c3)ncnc2s1
InChIInChI=1S/C12H13N5S/c1-3-9-4-10-11(13-7-14-12(10)18-9)16-8-5-15-17(2)6-8/h4-7H,3H2,1-2H3,(H,13,14,16)
InChIKeyUSWBTWDNBLCANN-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133332090
6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012213
1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21011274
ethyl 4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 1412737
1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43543834
N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 46362698
6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 2076558
1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one
CID 133325076
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
N-[1-(aminomethyl)cyclopentyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63760165
N-[1-chloro-2-(chloromethyl)butan-2-yl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 114010801
N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65027345

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine (CID 47054747) is 6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(Nc3cnn(C)c3)ncnc2s1.
What is the InChIKey of 6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is USWBTWDNBLCANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-3-9-4-10-11(13-7-14-12(10)18-9)16-8-5-15-17(2)6-8/h4-7H,3H2,1-2H3,(H,13,14,16).
What are the key properties of 6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 47054747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).