2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C15H24N4S2 — CID 103329665

IUPAC2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)C(C)CSC)c2cc(CC)sc2n1
InChIInChI=1S/C15H24N4S2/c1-6-11-8-12-13(19(4)10(3)9-20-5)17-15(16-7-2)18-14(12)21-11/h8,10H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyKMBCGSLNIPUXRR-UHFFFAOYSA-N
MW324.52 g/mol
LogP3.87
Rot. Bonds7

About 2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329665) has the molecular formula C15H24N4S2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329665
Molecular FormulaC15H24N4S2
Molecular Weight324.52 g/mol
Exact Mass324.14
IUPAC Name2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)C(C)CSC)c2cc(CC)sc2n1
InChIInChI=1S/C15H24N4S2/c1-6-11-8-12-13(19(4)10(3)9-20-5)17-15(16-7-2)18-14(12)21-11/h8,10H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyKMBCGSLNIPUXRR-UHFFFAOYSA-N
XLogP3.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330552
2-N,4-N,6-triethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324646
4-N-[2-(dimethylamino)ethyl]-2-N,6-diethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327863
6-ethyl-2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333041
N,6-diethyl-4-(3-methylbutan-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765560
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol
CID 103329881
2-N,6-diethyl-4-N-methyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324685
6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329657
2-N-ethyl-4-N-(1-methoxypropan-2-yl)-4-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325816
4-N-cyclopropyl-2-N,6-diethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324607
4-N,4-N,6-triethyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323820
4-N-cyclopropyl-6-ethyl-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324556

Frequently Asked Questions

What is the IUPAC name of 2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103329665) is 2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(N(C)C(C)CSC)c2cc(CC)sc2n1.
What is the InChIKey of 2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is KMBCGSLNIPUXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S2/c1-6-11-8-12-13(19(4)10(3)9-20-5)17-15(16-7-2)18-14(12)21-11/h8,10H,6-7,9H2,1-5H3,(H,16,17,18).
What are the key properties of 2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 324.52 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).