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

C14H16N4S2 — CID 103329049

IUPAC2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2sccc2C)c2ccsc2n1
InChIInChI=1S/C14H16N4S2/c1-3-15-14-17-12(10-5-7-20-13(10)18-14)16-8-11-9(2)4-6-19-11/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyCSDGWVNJWOJIOX-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.11
Rot. Bonds5

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

2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329049) has the molecular formula C14H16N4S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329049
Molecular FormulaC14H16N4S2
Molecular Weight304.44 g/mol
Exact Mass304.08
IUPAC Name2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2sccc2C)c2ccsc2n1
InChIInChI=1S/C14H16N4S2/c1-3-15-14-17-12(10-5-7-20-13(10)18-14)16-8-11-9(2)4-6-19-11/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyCSDGWVNJWOJIOX-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

Analyze 2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]quinazoline-2,4-diamine
CID 80839993
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324453
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411915
4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327305
2-N-ethyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328858
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329346
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 103326824
2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106296189

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103329049) is 2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCc2sccc2C)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CSDGWVNJWOJIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S2/c1-3-15-14-17-12(10-5-7-20-13(10)18-14)16-8-11-9(2)4-6-19-11/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]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-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).