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

C21H17N3S — CID 174494783

IUPAC5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2csc3ncnc(NC=Cc4ccccc4)c23)cc1
InChIInChI=1S/C21H17N3S/c1-15-7-9-17(10-8-15)18-13-25-21-19(18)20(23-14-24-21)22-12-11-16-5-3-2-4-6-16/h2-14H,1H3,(H,22,23,24)
InChIKeyDWDCOJKDWIQIDP-UHFFFAOYSA-N
MW343.46 g/mol
LogP5.75
Rot. Bonds4

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

5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 174494783) has the molecular formula C21H17N3S and a molecular weight of 343.46 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID174494783
Molecular FormulaC21H17N3S
Molecular Weight343.46 g/mol
Exact Mass343.11
IUPAC Name5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2csc3ncnc(NC=Cc4ccccc4)c23)cc1
InChIInChI=1S/C21H17N3S/c1-15-7-9-17(10-8-15)18-13-25-21-19(18)20(23-14-24-21)22-12-11-16-5-3-2-4-6-16/h2-14H,1H3,(H,22,23,24)
InChIKeyDWDCOJKDWIQIDP-UHFFFAOYSA-N
XLogP5.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.46
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine (CID 174494783) is 5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2csc3ncnc(NC=Cc4ccccc4)c23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DWDCOJKDWIQIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3S/c1-15-7-9-17(10-8-15)18-13-25-21-19(18)20(23-14-24-21)22-12-11-16-5-3-2-4-6-16/h2-14H,1H3,(H,22,23,24).
What are the key properties of 5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine?
5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 343.46 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 174494783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).