5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C21H19N3O3S — CID 21010174

IUPAC5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2ncnc3scc(-c4ccc(OC)c(OC)c4)c23)c1
InChIInChI=1S/C21H19N3O3S/c1-25-15-6-4-5-14(10-15)24-20-19-16(11-28-21(19)23-12-22-20)13-7-8-17(26-2)18(9-13)27-3/h4-12H,1-3H3,(H,22,23,24)
InChIKeySOEGLNJZTYUCHM-UHFFFAOYSA-N
MW393.47 g/mol
LogP5.13
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 21010174) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID21010174
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2ncnc3scc(-c4ccc(OC)c(OC)c4)c23)c1
InChIInChI=1S/C21H19N3O3S/c1-25-15-6-4-5-14(10-15)24-20-19-16(11-28-21(19)23-12-22-20)13-7-8-17(26-2)18(9-13)27-3/h4-12H,1-3H3,(H,22,23,24)
InChIKeySOEGLNJZTYUCHM-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

5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011253
N-(3,4-dimethoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7636536
5-(3,4-dimethoxyphenyl)-N-(4-methoxy-3-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010530
3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21009753
1-[4-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]ethanone
CID 21009523
5-(3,4-dimethoxyphenyl)-N-(2-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010561
5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695342
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010012
5-(4-methylphenyl)-N-(3-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2391301
N-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011399
3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid;hydrochloride
CID 44635770
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 20964581

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 21010174) is 5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is COc1cccc(Nc2ncnc3scc(-c4ccc(OC)c(OC)c4)c23)c1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SOEGLNJZTYUCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-25-15-6-4-5-14(10-15)24-20-19-16(11-28-21(19)23-12-22-20)13-7-8-17(26-2)18(9-13)27-3/h4-12H,1-3H3,(H,22,23,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-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 5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21010174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).