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

C21H19N3O3S — CID 26470392

IUPAC5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3scc(-c4ccccc4)c23)cc(OC)c1OC
InChIInChI=1S/C21H19N3O3S/c1-25-16-9-14(10-17(26-2)19(16)27-3)24-20-18-15(13-7-5-4-6-8-13)11-28-21(18)23-12-22-20/h4-12H,1-3H3,(H,22,23,24)
InChIKeyNTZNMQMSNRIKEW-UHFFFAOYSA-N
MW393.47 g/mol
LogP5.13
Rot. Bonds6

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

5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 26470392) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID26470392
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3scc(-c4ccccc4)c23)cc(OC)c1OC
InChIInChI=1S/C21H19N3O3S/c1-25-16-9-14(10-17(26-2)19(16)27-3)24-20-18-15(13-7-5-4-6-8-13)11-28-21(18)23-12-22-20/h4-12H,1-3H3,(H,22,23,24)
InChIKeyNTZNMQMSNRIKEW-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

N-(3,4-dimethoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7636536
5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011253
N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 21010054
5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 1194680
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 20964581
N-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 21011861
5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010174
5-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid
CID 21009455
2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine
CID 17499231
1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21009510
N-(4-butoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635936
N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7574829

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 26470392) is 5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is COc1cc(Nc2ncnc3scc(-c4ccccc4)c23)cc(OC)c1OC.
What is the InChIKey of 5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NTZNMQMSNRIKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-25-16-9-14(10-17(26-2)19(16)27-3)24-20-18-15(13-7-5-4-6-8-13)11-28-21(18)23-12-22-20/h4-12H,1-3H3,(H,22,23,24).
What are the key properties of 5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
5-phenyl-N-(3,4,5-trimethoxyphenyl)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-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 26470392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).