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

C13H15N5S2 — CID 103327929

IUPAC6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCc3cscn3)nc(NC)nc2s1
InChIInChI=1S/C13H15N5S2/c1-3-9-4-10-11(15-5-8-6-19-7-16-8)17-13(14-2)18-12(10)20-9/h4,6-7H,3,5H2,1-2H3,(H2,14,15,17,18)
InChIKeyIHVRZQYHBRWKAU-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.36
Rot. Bonds5

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

6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327929) has the molecular formula C13H15N5S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327929
Molecular FormulaC13H15N5S2
Molecular Weight305.43 g/mol
Exact Mass305.08
IUPAC Name6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCc3cscn3)nc(NC)nc2s1
InChIInChI=1S/C13H15N5S2/c1-3-9-4-10-11(15-5-8-6-19-7-16-8)17-13(14-2)18-12(10)20-9/h4,6-7H,3,5H2,1-2H3,(H2,14,15,17,18)
InChIKeyIHVRZQYHBRWKAU-UHFFFAOYSA-N
XLogP3.36
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326140
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330779
6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328043
3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 103329093
6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327900
6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326772
ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103325279
2-N,6-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845473
6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103333186
3-[2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311692

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327929) is 6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NCc3cscn3)nc(NC)nc2s1.
What is the InChIKey of 6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is IHVRZQYHBRWKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S2/c1-3-9-4-10-11(15-5-8-6-19-7-16-8)17-13(14-2)18-12(10)20-9/h4,6-7H,3,5H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 305.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).