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

C14H16N4S2 — CID 103324924

IUPAC2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)Cc2ccsc2)c2ccsc2n1
InChIInChI=1S/C14H16N4S2/c1-3-15-14-16-12(11-5-7-20-13(11)17-14)18(2)8-10-4-6-19-9-10/h4-7,9H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyKALGRXMLAJCCJZ-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.82
Rot. Bonds5

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

2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324924) has the molecular formula C14H16N4S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324924
Molecular FormulaC14H16N4S2
Molecular Weight304.44 g/mol
Exact Mass304.08
IUPAC Name2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)Cc2ccsc2)c2ccsc2n1
InChIInChI=1S/C14H16N4S2/c1-3-15-14-16-12(11-5-7-20-13(11)17-14)18(2)8-10-4-6-19-9-10/h4-7,9H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyKALGRXMLAJCCJZ-UHFFFAOYSA-N
XLogP3.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine
CID 80774533
2-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327565
2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325135
2-N-ethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325505
4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327415
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106918645
4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330872
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326563
1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 103326416
4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325565
4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324912
3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103329993

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324924) is 2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(N(C)Cc2ccsc2)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is KALGRXMLAJCCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S2/c1-3-15-14-16-12(11-5-7-20-13(11)17-14)18(2)8-10-4-6-19-9-10/h4-7,9H,3,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-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 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).