4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

C12H13N5S2 — CID 103327647

IUPAC4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1csc(CCNc2nc(N)nc3sccc23)n1
InChIInChI=1S/C12H13N5S2/c1-7-6-19-9(15-7)2-4-14-10-8-3-5-18-11(8)17-12(13)16-10/h3,5-6H,2,4H2,1H3,(H3,13,14,16,17)
InChIKeyQCGBINDNLADYCR-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.69
Rot. Bonds4

About 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327647) has the molecular formula C12H13N5S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327647
Molecular FormulaC12H13N5S2
Molecular Weight291.40 g/mol
Exact Mass291.06
IUPAC Name4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1csc(CCNc2nc(N)nc3sccc23)n1
InChIInChI=1S/C12H13N5S2/c1-7-6-19-9(15-7)2-4-14-10-8-3-5-18-11(8)17-12(13)16-10/h3,5-6H,2,4H2,1H3,(H3,13,14,16,17)
InChIKeyQCGBINDNLADYCR-UHFFFAOYSA-N
XLogP2.69
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828978
4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327318
4-N-[(6-methyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327165
4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328271
5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 114148662
4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 107818983
4-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327389
4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330644
4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330752
2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258455

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327647) is 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is Cc1csc(CCNc2nc(N)nc3sccc23)n1.
What is the InChIKey of 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QCGBINDNLADYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S2/c1-7-6-19-9(15-7)2-4-14-10-8-3-5-18-11(8)17-12(13)16-10/h3,5-6H,2,4H2,1H3,(H3,13,14,16,17).
What are the key properties of 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 291.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).