6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine

C19H17N3O3S2 — CID 155527669

IUPAC6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3cc(-c4cccs4)sc23)cc(OC)c1OC
InChIInChI=1S/C19H17N3O3S2/c1-23-13-7-11(8-14(24-2)17(13)25-3)22-19-18-12(20-10-21-19)9-16(27-18)15-5-4-6-26-15/h4-10H,1-3H3,(H,20,21,22)
InChIKeyZDRDDLAPYKXFRU-UHFFFAOYSA-N
MW399.50 g/mol
LogP5.19
Rot. Bonds6

About 6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine

6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 155527669) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID155527669
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3cc(-c4cccs4)sc23)cc(OC)c1OC
InChIInChI=1S/C19H17N3O3S2/c1-23-13-7-11(8-14(24-2)17(13)25-3)22-19-18-12(20-10-21-19)9-16(27-18)15-5-4-6-26-15/h4-10H,1-3H3,(H,20,21,22)
InChIKeyZDRDDLAPYKXFRU-UHFFFAOYSA-N
XLogP5.19
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 137321167
4-(2,4-Dimethylthiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 11632150
N-[3-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 90466264
N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2503621
N-(3,5-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 16058707
7-(thiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 44410294
3-{3-[(Thiophen-2-YL)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16009264
3-thiophen-3-yl-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 44527176
4-N-(3,4-dimethoxyphenyl)-6-phenyl-2-N-prop-2-enylthieno[3,2-d]pyrimidine-2,4-diamine
CID 49786666
N-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 71569579
[(2S)-1-[2-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
CID 127043299
7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 127044518

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine (CID 155527669) is 6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine is COc1cc(Nc2ncnc3cc(-c4cccs4)sc23)cc(OC)c1OC.
What is the InChIKey of 6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ZDRDDLAPYKXFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c1-23-13-7-11(8-14(24-2)17(13)25-3)22-19-18-12(20-10-21-19)9-16(27-18)15-5-4-6-26-15/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of 6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 399.50 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 155527669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).