2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C19H12ClN3OS — CID 71901919

IUPAC2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C(Cl)=Cc2cccnc2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C19H12ClN3OS/c20-15(9-12-5-4-8-21-11-12)17-22-18(24)14-10-16(25-19(14)23-17)13-6-2-1-3-7-13/h1-11H,(H,22,23,24)
InChIKeyBNNXCGYCVCXRPS-UHFFFAOYSA-N
MW365.85 g/mol
LogP4.78
Rot. Bonds3

About 2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 71901919) has the molecular formula C19H12ClN3OS and a molecular weight of 365.85 g/mol. Its IUPAC name is 2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID71901919
Molecular FormulaC19H12ClN3OS
Molecular Weight365.85 g/mol
Exact Mass365.04
IUPAC Name2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C(Cl)=Cc2cccnc2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C19H12ClN3OS/c20-15(9-12-5-4-8-21-11-12)17-22-18(24)14-10-16(25-19(14)23-17)13-6-2-1-3-7-13/h1-11H,(H,22,23,24)
InChIKeyBNNXCGYCVCXRPS-UHFFFAOYSA-N
XLogP4.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 71901919) is 2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(C(Cl)=Cc2cccnc2)nc2sc(-c3ccccc3)cc12.
What is the InChIKey of 2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is BNNXCGYCVCXRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3OS/c20-15(9-12-5-4-8-21-11-12)17-22-18(24)14-10-16(25-19(14)23-17)13-6-2-1-3-7-13/h1-11H,(H,22,23,24).
What are the key properties of 2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 365.85 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 71901919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).