2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine

C20H19N3S — CID 91965458

IUPAC2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(Nc2cccc3ccccc23)c2c(C)c(C)sc2n1
InChIInChI=1S/C20H19N3S/c1-4-17-22-19(18-12(2)13(3)24-20(18)23-17)21-16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,4H2,1-3H3,(H,21,22,23)
InChIKeyCPHHZABBLWBROW-UHFFFAOYSA-N
MW333.46 g/mol
LogP5.77
Rot. Bonds3

About 2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine

2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91965458) has the molecular formula C20H19N3S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91965458
Molecular FormulaC20H19N3S
Molecular Weight333.46 g/mol
Exact Mass333.13
IUPAC Name2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(Nc2cccc3ccccc23)c2c(C)c(C)sc2n1
InChIInChI=1S/C20H19N3S/c1-4-17-22-19(18-12(2)13(3)24-20(18)23-17)21-16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,4H2,1-3H3,(H,21,22,23)
InChIKeyCPHHZABBLWBROW-UHFFFAOYSA-N
XLogP5.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.46
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965399
2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965406
3-[(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 91965421
N-(1,3-benzodioxol-5-yl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965456
2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964637
N-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 91965470
N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965462
N-(3-chloro-4-methoxyphenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965444
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066129
2-benzyl-N-(4-bromophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964603
diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium
CID 9195842

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine (CID 91965458) is 2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine is CCc1nc(Nc2cccc3ccccc23)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CPHHZABBLWBROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3S/c1-4-17-22-19(18-12(2)13(3)24-20(18)23-17)21-16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,4H2,1-3H3,(H,21,22,23).
What are the key properties of 2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine?
2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 333.46 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91965458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).