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

C12H13N5S2 — CID 103328266

IUPAC6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NC(C)c3nccs3)nc(N)nc2s1
InChIInChI=1S/C12H13N5S2/c1-6-5-8-9(16-12(13)17-11(8)19-6)15-7(2)10-14-3-4-18-10/h3-5,7H,1-2H3,(H3,13,15,16,17)
InChIKeyHEXKORCQFWTXEY-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.21
Rot. Bonds3

About 6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328266) has the molecular formula C12H13N5S2 and a molecular weight of 291.41 g/mol. Its IUPAC name is 6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328266
Molecular FormulaC12H13N5S2
Molecular Weight291.41 g/mol
Exact Mass291.06
IUPAC Name6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NC(C)c3nccs3)nc(N)nc2s1
InChIInChI=1S/C12H13N5S2/c1-6-5-8-9(16-12(13)17-11(8)19-6)15-7(2)10-14-3-4-18-10/h3-5,7H,1-2H3,(H3,13,15,16,17)
InChIKeyHEXKORCQFWTXEY-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

4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329700
6-methyl-4-N-(1-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327402
4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326112
4-N-[1-(4-fluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326091
6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325883
6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327997
6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327111
6-ethyl-2-hydrazinyl-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103333941
4-N-(1-cyclopentylethyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328103
6-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326002
6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 78946443
4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328271

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103328266) is 6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is Cc1cc2c(NC(C)c3nccs3)nc(N)nc2s1.
What is the InChIKey of 6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is HEXKORCQFWTXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S2/c1-6-5-8-9(16-12(13)17-11(8)19-6)15-7(2)10-14-3-4-18-10/h3-5,7H,1-2H3,(H3,13,15,16,17).
What are the key properties of 6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
6-methyl-4-N-[1-(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 6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).