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

C13H20N4S2 — CID 103329962

IUPAC2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCC(C)SC)c2cc(C)sc2n1
InChIInChI=1S/C13H20N4S2/c1-5-14-13-16-11(15-7-9(3)18-4)10-6-8(2)19-12(10)17-13/h6,9H,5,7H2,1-4H3,(H2,14,15,16,17)
InChIKeyZACAPZCYUWNXAW-UHFFFAOYSA-N
MW296.47 g/mol
LogP3.59
Rot. Bonds6

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

2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329962) has the molecular formula C13H20N4S2 and a molecular weight of 296.47 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329962
Molecular FormulaC13H20N4S2
Molecular Weight296.47 g/mol
Exact Mass296.11
IUPAC Name2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCC(C)SC)c2cc(C)sc2n1
InChIInChI=1S/C13H20N4S2/c1-5-14-13-16-11(15-7-9(3)18-4)10-6-8(2)19-12(10)17-13/h6,9H,5,7H2,1-4H3,(H2,14,15,16,17)
InChIKeyZACAPZCYUWNXAW-UHFFFAOYSA-N
XLogP3.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322476
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329938
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328434
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327956
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324169
4-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329470
2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330541
2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328336
1-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103332256
N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331498

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103329962) is 2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCC(C)SC)c2cc(C)sc2n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is ZACAPZCYUWNXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S2/c1-5-14-13-16-11(15-7-9(3)18-4)10-6-8(2)19-12(10)17-13/h6,9H,5,7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 296.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).