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

C14H17N5S2 — CID 103328270

IUPAC2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC(C)c2nc(C)cs2)c2ccsc2n1
InChIInChI=1S/C14H17N5S2/c1-4-15-14-18-11(10-5-6-20-13(10)19-14)17-9(3)12-16-8(2)7-21-12/h5-7,9H,4H2,1-3H3,(H2,15,17,18,19)
InChIKeyNXBNQDBKHIBKEK-UHFFFAOYSA-N
MW319.46 g/mol
LogP4.06
Rot. Bonds5

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

2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328270) has the molecular formula C14H17N5S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328270
Molecular FormulaC14H17N5S2
Molecular Weight319.46 g/mol
Exact Mass319.09
IUPAC Name2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC(C)c2nc(C)cs2)c2ccsc2n1
InChIInChI=1S/C14H17N5S2/c1-4-15-14-18-11(10-5-6-20-13(10)19-14)17-9(3)12-16-8(2)7-21-12/h5-7,9H,4H2,1-3H3,(H2,15,17,18,19)
InChIKeyNXBNQDBKHIBKEK-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328271
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol
CID 103330143
2-N-ethyl-4-N-(4-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328574
2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328260
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103324825
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329049
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329698
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330597
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103328270) is 2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NC(C)c2nc(C)cs2)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is NXBNQDBKHIBKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S2/c1-4-15-14-18-11(10-5-6-20-13(10)19-14)17-9(3)12-16-8(2)7-21-12/h5-7,9H,4H2,1-3H3,(H2,15,17,18,19).
What are the key properties of 2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-[1-(4-methyl-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 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).