4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine

C15H16N4S — CID 103327021

IUPAC4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCN(c1ccc(C)cc1)c1nc(N)nc2sccc12
InChIInChI=1S/C15H16N4S/c1-3-19(11-6-4-10(2)5-7-11)13-12-8-9-20-14(12)18-15(16)17-13/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKeyJSBHXESSNYRKCJ-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.74
Rot. Bonds3

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

4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327021) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327021
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCN(c1ccc(C)cc1)c1nc(N)nc2sccc12
InChIInChI=1S/C15H16N4S/c1-3-19(11-6-4-10(2)5-7-11)13-12-8-9-20-14(12)18-15(16)17-13/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKeyJSBHXESSNYRKCJ-UHFFFAOYSA-N
XLogP3.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-hydrazinyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 103333918
4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323225
4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324681
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 103325810
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 103325838
4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile
CID 103327486
6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine
CID 115474047
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326506
4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326605
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325263
4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325760
4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335268

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327021) is 4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCN(c1ccc(C)cc1)c1nc(N)nc2sccc12.
What is the InChIKey of 4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is JSBHXESSNYRKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-3-19(11-6-4-10(2)5-7-11)13-12-8-9-20-14(12)18-15(16)17-13/h4-9H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 284.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).