N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine

C20H17N3O2S — CID 2462466

IUPACN-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2ncnc3sc(-c4ccccc4)cc23)c1
InChIInChI=1S/C20H17N3O2S/c1-24-14-8-9-17(25-2)16(10-14)23-19-15-11-18(13-6-4-3-5-7-13)26-20(15)22-12-21-19/h3-12H,1-2H3,(H,21,22,23)
InChIKeyIRSIUYXIFQTDMD-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.12
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine

N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2462466) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2462466
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2ncnc3sc(-c4ccccc4)cc23)c1
InChIInChI=1S/C20H17N3O2S/c1-24-14-8-9-17(25-2)16(10-14)23-19-15-11-18(13-6-4-3-5-7-13)26-20(15)22-12-21-19/h3-12H,1-2H3,(H,21,22,23)
InChIKeyIRSIUYXIFQTDMD-UHFFFAOYSA-N
XLogP5.12
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Thienopyrimidine deriv. 13
CID 6539990
Thienopyrimidine deriv. 14
CID 6539991
Thienopyrimidine deriv. 15
CID 6539992
Thienopyrimidine deriv. 90
CID 6540023
Thienopyrimidine deriv. 93
CID 6540026
(2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 78319175
N-(2,5-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2508929
N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2503621
N-(2,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2519505
N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 5157219
N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 5185787
(2,4-Dimethoxy-phenyl)-(6-methyl-thieno[2,3-d]pyrimidin-4-yl)-amine
CID 16370449

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 2462466) is N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(OC)c(Nc2ncnc3sc(-c4ccccc4)cc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IRSIUYXIFQTDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-24-14-8-9-17(25-2)16(10-14)23-19-15-11-18(13-6-4-3-5-7-13)26-20(15)22-12-21-19/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 363.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2462466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).