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

C12H13N5S2 — CID 103334675

IUPACN-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Sc2cnn(C)c2)c2ccsc2n1
InChIInChI=1S/C12H13N5S2/c1-3-13-12-15-10-9(4-5-18-10)11(16-12)19-8-6-14-17(2)7-8/h4-7H,3H2,1-2H3,(H,13,15,16)
InChIKeyWPCWZGQIBVVXGN-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.01
Rot. Bonds4

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

N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334675) has the molecular formula C12H13N5S2 and a molecular weight of 291.41 g/mol. Its IUPAC name is N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334675
Molecular FormulaC12H13N5S2
Molecular Weight291.41 g/mol
Exact Mass291.06
IUPAC NameN-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Sc2cnn(C)c2)c2ccsc2n1
InChIInChI=1S/C12H13N5S2/c1-3-13-12-15-10-9(4-5-18-10)11(16-12)19-8-6-14-17(2)7-8/h4-7H,3H2,1-2H3,(H,13,15,16)
InChIKeyWPCWZGQIBVVXGN-UHFFFAOYSA-N
XLogP3.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336586
N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334288
N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333500
5-bromo-N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
CID 80892183
N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335287
3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772919
4-(cyclopentylmethylsulfanyl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334935
4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103335254
2-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 103334011
tert-butyl 2-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate
CID 103335390
4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103334616
1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674469

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine (CID 103334675) is N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Sc2cnn(C)c2)c2ccsc2n1.
What is the InChIKey of N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is WPCWZGQIBVVXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S2/c1-3-13-12-15-10-9(4-5-18-10)11(16-12)19-8-6-14-17(2)7-8/h4-7H,3H2,1-2H3,(H,13,15,16).
What are the key properties of N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 291.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).