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

C12H13N5S2 — CID 103328271

IUPAC4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1csc(C(C)Nc2nc(N)nc3sccc23)n1
InChIInChI=1S/C12H13N5S2/c1-6-5-19-10(14-6)7(2)15-9-8-3-4-18-11(8)17-12(13)16-9/h3-5,7H,1-2H3,(H3,13,15,16,17)
InChIKeyLGYDFNREZSDSNR-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.21
Rot. Bonds3

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

4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328271) has the molecular formula C12H13N5S2 and a molecular weight of 291.41 g/mol. Its IUPAC name is 4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328271
Molecular FormulaC12H13N5S2
Molecular Weight291.41 g/mol
Exact Mass291.06
IUPAC Name4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1csc(C(C)Nc2nc(N)nc3sccc23)n1
InChIInChI=1S/C12H13N5S2/c1-6-5-19-10(14-6)7(2)15-9-8-3-4-18-11(8)17-12(13)16-9/h3-5,7H,1-2H3,(H3,13,15,16,17)
InChIKeyLGYDFNREZSDSNR-UHFFFAOYSA-N
XLogP3.21
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328270
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327647
4-N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324894
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329097
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103325001
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
CID 79534289
6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328266
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 103329768
4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330589
5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 106811993
2-hydrazinyl-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80917854

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103328271) is 4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is Cc1csc(C(C)Nc2nc(N)nc3sccc23)n1.
What is the InChIKey of 4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is LGYDFNREZSDSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S2/c1-6-5-19-10(14-6)7(2)15-9-8-3-4-18-11(8)17-12(13)16-9/h3-5,7H,1-2H3,(H3,13,15,16,17).
What are the key properties of 4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 291.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).