6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

C14H17N5S2 — CID 103326140

IUPAC6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCc3cnc(C)s3)nc(NC)nc2s1
InChIInChI=1S/C14H17N5S2/c1-4-9-5-11-12(17-7-10-6-16-8(2)20-10)18-14(15-3)19-13(11)21-9/h5-6H,4,7H2,1-3H3,(H2,15,17,18,19)
InChIKeyJMHZEZBCUGIACC-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.67
Rot. Bonds5

About 6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103326140) has the molecular formula C14H17N5S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103326140
Molecular FormulaC14H17N5S2
Molecular Weight319.46 g/mol
Exact Mass319.09
IUPAC Name6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCc3cnc(C)s3)nc(NC)nc2s1
InChIInChI=1S/C14H17N5S2/c1-4-9-5-11-12(17-7-10-6-16-8(2)20-10)18-14(15-3)19-13(11)21-9/h5-6H,4,7H2,1-3H3,(H2,15,17,18,19)
InChIKeyJMHZEZBCUGIACC-UHFFFAOYSA-N
XLogP3.67
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.67
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-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327929
6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330779
3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 103329093
ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103325279
6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328043
6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326772
6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327900
3-[2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311692
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80783065

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 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) is 6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NCc3cnc(C)s3)nc(NC)nc2s1.
What is the InChIKey of 6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is JMHZEZBCUGIACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S2/c1-4-9-5-11-12(17-7-10-6-16-8(2)20-10)18-14(15-3)19-13(11)21-9/h5-6H,4,7H2,1-3H3,(H2,15,17,18,19).
What are the key properties of 6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 319.46 g/mol, XLogP of 3.67, 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-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103326140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).