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

C22H21N3O3S — CID 137321167

IUPAC6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3cc(-c4ccc(C)cc4)sc23)cc(OC)c1OC
InChIInChI=1S/C22H21N3O3S/c1-13-5-7-14(8-6-13)19-11-16-21(29-19)22(24-12-23-16)25-15-9-17(26-2)20(28-4)18(10-15)27-3/h5-12H,1-4H3,(H,23,24,25)
InChIKeyIXKCNJIWRNIRNO-UHFFFAOYSA-N
MW407.50 g/mol
LogP5.44
Rot. Bonds6

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

6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 137321167) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID137321167
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3cc(-c4ccc(C)cc4)sc23)cc(OC)c1OC
InChIInChI=1S/C22H21N3O3S/c1-13-5-7-14(8-6-13)19-11-16-21(29-19)22(24-12-23-16)25-15-9-17(26-2)20(28-4)18(10-15)27-3/h5-12H,1-4H3,(H,23,24,25)
InChIKeyIXKCNJIWRNIRNO-UHFFFAOYSA-N
XLogP5.44
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(3,5-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 16058707
7-(4-(methylthio)phenyl)-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 44411413
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
N-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 16028619
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

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine (CID 137321167) is 6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine is COc1cc(Nc2ncnc3cc(-c4ccc(C)cc4)sc23)cc(OC)c1OC.
What is the InChIKey of 6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is IXKCNJIWRNIRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-13-5-7-14(8-6-13)19-11-16-21(29-19)22(24-12-23-16)25-15-9-17(26-2)20(28-4)18(10-15)27-3/h5-12H,1-4H3,(H,23,24,25).
What are the key properties of 6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 407.50 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 137321167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).