5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one

C17H16Cl2N2OS — CID 28868484

IUPAC5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCc1nc2sc(CC)c(-c3ccc(Cl)c(Cl)c3)c2c(=O)[nH]1
InChIInChI=1S/C17H16Cl2N2OS/c1-3-5-13-20-16(22)15-14(12(4-2)23-17(15)21-13)9-6-7-10(18)11(19)8-9/h6-8H,3-5H2,1-2H3,(H,20,21,22)
InChIKeyDNPKJCPSTZRCQV-UHFFFAOYSA-N
MW367.30 g/mol
LogP5.47
Rot. Bonds4

About 5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one

5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28868484) has the molecular formula C17H16Cl2N2OS and a molecular weight of 367.30 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28868484
Molecular FormulaC17H16Cl2N2OS
Molecular Weight367.30 g/mol
Exact Mass366.04
IUPAC Name5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCc1nc2sc(CC)c(-c3ccc(Cl)c(Cl)c3)c2c(=O)[nH]1
InChIInChI=1S/C17H16Cl2N2OS/c1-3-5-13-20-16(22)15-14(12(4-2)23-17(15)21-13)9-6-7-10(18)11(19)8-9/h6-8H,3-5H2,1-2H3,(H,20,21,22)
InChIKeyDNPKJCPSTZRCQV-UHFFFAOYSA-N
XLogP5.47
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.30
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloro-3-methylphenyl)-6-ethyl-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868288
2-benzyl-5-(4-chloro-3-methylphenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890552
5-(3,4-dichlorophenyl)-6-ethyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889183
6-ethyl-2-(2-methoxyethyl)-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868283
5-(4-bromophenyl)-2-[(3-chlorophenyl)methyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888480
5-(4-chloro-3-methylphenyl)-2-(1,4-diazepan-1-yl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110311818
5-(4-chloro-3-methylphenyl)-2-[(4-chlorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890403
5-(3,4-dichlorophenyl)-2-[(2-methoxyphenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890227
5-(4-tert-butylphenyl)-2-(2-chlorophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868539
5-(4-tert-butylphenyl)-6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868416
2-(1-chloroethyl)-5-(3,4-dichlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065001
5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868299

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28868484) is 5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one is CCCc1nc2sc(CC)c(-c3ccc(Cl)c(Cl)c3)c2c(=O)[nH]1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DNPKJCPSTZRCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2OS/c1-3-5-13-20-16(22)15-14(12(4-2)23-17(15)21-13)9-6-7-10(18)11(19)8-9/h6-8H,3-5H2,1-2H3,(H,20,21,22).
What are the key properties of 5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 367.30 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28868484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).