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

C14H16N4S2 — CID 103327668

IUPAC2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2ccsc2)c2cc(C)sc2n1
InChIInChI=1S/C14H16N4S2/c1-3-15-14-17-12(16-7-10-4-5-19-8-10)11-6-9(2)20-13(11)18-14/h4-6,8H,3,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyQKDOOOPCXAEDQK-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.11
Rot. Bonds5

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

2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327668) has the molecular formula C14H16N4S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327668
Molecular FormulaC14H16N4S2
Molecular Weight304.44 g/mol
Exact Mass304.08
IUPAC Name2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2ccsc2)c2cc(C)sc2n1
InChIInChI=1S/C14H16N4S2/c1-3-15-14-17-12(16-7-10-4-5-19-8-10)11-6-9(2)20-13(11)18-14/h4-6,8H,3,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyQKDOOOPCXAEDQK-UHFFFAOYSA-N
XLogP4.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438
2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327733
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106378642
2-N-ethyl-6-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326759
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324169
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328434
6-methyl-4-N-(2-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325996
2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329962
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-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327956
1-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 103330490

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327668) is 2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCc2ccsc2)c2cc(C)sc2n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QKDOOOPCXAEDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S2/c1-3-15-14-17-12(16-7-10-4-5-19-8-10)11-6-9(2)20-13(11)18-14/h4-6,8H,3,7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 304.44 g/mol, XLogP of 4.11, 5 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-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).