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

C14H17N5S2 — CID 103329698

IUPAC4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cnc(C(C)Nc2nc(NC)nc3sccc23)s1
InChIInChI=1S/C14H17N5S2/c1-4-9-7-16-12(21-9)8(2)17-11-10-5-6-20-13(10)19-14(15-3)18-11/h5-8H,4H2,1-3H3,(H2,15,17,18,19)
InChIKeyWKSORXZTHQSYIR-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.92
Rot. Bonds5

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

4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329698) has the molecular formula C14H17N5S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329698
Molecular FormulaC14H17N5S2
Molecular Weight319.46 g/mol
Exact Mass319.09
IUPAC Name4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cnc(C(C)Nc2nc(NC)nc3sccc23)s1
InChIInChI=1S/C14H17N5S2/c1-4-9-7-16-12(21-9)8(2)17-11-10-5-6-20-13(10)19-14(15-3)18-11/h5-8H,4H2,1-3H3,(H2,15,17,18,19)
InChIKeyWKSORXZTHQSYIR-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326031
2-N-methyl-4-N-(2-methylpentan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325944
2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324196
2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324758
4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 106358078
4-N-[1-(diethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326985
2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328260
4-N-[1-(dimethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329471
4-N-(4-methoxybutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328328
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329081
2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328270
N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 103329780

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103329698) is 4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is CCc1cnc(C(C)Nc2nc(NC)nc3sccc23)s1.
What is the InChIKey of 4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is WKSORXZTHQSYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S2/c1-4-9-7-16-12(21-9)8(2)17-11-10-5-6-20-13(10)19-14(15-3)18-11/h5-8H,4H2,1-3H3,(H2,15,17,18,19).
What are the key properties of 4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 319.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).