N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C25H27N3O3S — CID 28505229

IUPACN-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(-c2c(C)sc3ncnc(Nc4ccc(OCC)c(OCC)c4)c23)cc1
InChIInChI=1S/C25H27N3O3S/c1-5-29-19-11-8-17(9-12-19)22-16(4)32-25-23(22)24(26-15-27-25)28-18-10-13-20(30-6-2)21(14-18)31-7-3/h8-15H,5-7H2,1-4H3,(H,26,27,28)
InChIKeyQXBAHOVZSUKPCN-UHFFFAOYSA-N
MW449.58 g/mol
LogP6.61
Rot. Bonds9

About N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 28505229) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID28505229
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(-c2c(C)sc3ncnc(Nc4ccc(OCC)c(OCC)c4)c23)cc1
InChIInChI=1S/C25H27N3O3S/c1-5-29-19-11-8-17(9-12-19)22-16(4)32-25-23(22)24(26-15-27-25)28-18-10-13-20(30-6-2)21(14-18)31-7-3/h8-15H,5-7H2,1-4H3,(H,26,27,28)
InChIKeyQXBAHOVZSUKPCN-UHFFFAOYSA-N
XLogP6.61
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.58
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[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-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28505195
N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009720
5-(4-ethoxyphenyl)-N-(4-methoxy-3-nitrophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010533
1-N-[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 21009360
N-(5-chloro-2-methoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011598
N-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 731293
propyl 3-[[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21012598
5-(4-chlorophenyl)-6-methyl-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21012285
N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 18593654
4-N-[5-(4-ethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 28852465
5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009851
4-N,4-N-dimethyl-1-N-[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 21012140

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 28505229) is N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is CCOc1ccc(-c2c(C)sc3ncnc(Nc4ccc(OCC)c(OCC)c4)c23)cc1.
What is the InChIKey of N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QXBAHOVZSUKPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-5-29-19-11-8-17(9-12-19)22-16(4)32-25-23(22)24(26-15-27-25)28-18-10-13-20(30-6-2)21(14-18)31-7-3/h8-15H,5-7H2,1-4H3,(H,26,27,28).
What are the key properties of N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 449.58 g/mol, XLogP of 6.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 28505229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).