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

C14H17N5S2 — CID 103328260

IUPAC2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(C)c2nccs2)c2ccsc2n1
InChIInChI=1S/C14H17N5S2/c1-3-5-16-14-18-11(10-4-7-20-13(10)19-14)17-9(2)12-15-6-8-21-12/h4,6-9H,3,5H2,1-2H3,(H2,16,17,18,19)
InChIKeyMKOVWTHSBLVXME-UHFFFAOYSA-N
MW319.46 g/mol
LogP4.14
Rot. Bonds6

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

2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328260) has the molecular formula C14H17N5S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328260
Molecular FormulaC14H17N5S2
Molecular Weight319.46 g/mol
Exact Mass319.09
IUPAC Name2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(C)c2nccs2)c2ccsc2n1
InChIInChI=1S/C14H17N5S2/c1-3-5-16-14-18-11(10-4-7-20-13(10)19-14)17-9(2)12-15-6-8-21-12/h4,6-9H,3,5H2,1-2H3,(H2,16,17,18,19)
InChIKeyMKOVWTHSBLVXME-UHFFFAOYSA-N
XLogP4.14
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118
4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330019
3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330351
N,N-dimethyl-2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 103325902
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
CID 103328395
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-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327329
4-N-(3-ethylpentan-3-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328432
4-methyl-1-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 107159683
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329698
5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80825581

Frequently Asked Questions

What is the IUPAC name of 2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103328260) is 2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NC(C)c2nccs2)c2ccsc2n1.
What is the InChIKey of 2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is MKOVWTHSBLVXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S2/c1-3-5-16-14-18-11(10-4-7-20-13(10)19-14)17-9(2)12-15-6-8-21-12/h4,6-9H,3,5H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 319.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).