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

C21H19N3O3S — CID 155551406

IUPAC6-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3cc(-c4ccccc4)sc23)cc(OC)c1OC
InChIInChI=1S/C21H19N3O3S/c1-25-16-9-14(10-17(26-2)19(16)27-3)24-21-20-15(22-12-23-21)11-18(28-20)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,23,24)
InChIKeyZFLPXKSPNADKJF-UHFFFAOYSA-N
MW393.47 g/mol
LogP5.13
Rot. Bonds6

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

6-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 155551406) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 6-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID155551406
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name6-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3cc(-c4ccccc4)sc23)cc(OC)c1OC
InChIInChI=1S/C21H19N3O3S/c1-25-16-9-14(10-17(26-2)19(16)27-3)24-21-20-15(22-12-23-21)11-18(28-20)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,23,24)
InChIKeyZFLPXKSPNADKJF-UHFFFAOYSA-N
XLogP5.13
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 137321167
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-(1,3-benzodioxol-5-ylmethyl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 2809722
N-(4-(benzo[d]thiazol-2-yl)phenyl)-6,7-dimethoxyquinazolin-4-amine
CID 16042971
N-(3,5-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 16058707
N-(4-(benzo[d]thiazol-2-yl)-2-methylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 44156909
7-(4-(methylthio)phenyl)-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 44411413
(3-(7-(3,4-Dimethoxyphenylamino)thiazolo[5,4-d]pyrimidin-5-yl)phenyl)methanol
CID 66550548
Methyl 9-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 71529590
N-(2,4-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2816829
N-(3,4-dimethoxyphenyl)-6-phenyl-4-thieno[2,3-d]pyrimidinamine
CID 2494828

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine (CID 155551406) is 6-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine is COc1cc(Nc2ncnc3cc(-c4ccccc4)sc23)cc(OC)c1OC.
What is the InChIKey of 6-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ZFLPXKSPNADKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-25-16-9-14(10-17(26-2)19(16)27-3)24-21-20-15(22-12-23-21)11-18(28-20)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,23,24).
What are the key properties of 6-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
6-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 393.47 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 155551406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).