6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

C18H20N2O2S — CID 28868101

IUPAC6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1sc2nc(C(C)C)[nH]c(=O)c2c1-c1cccc(OC)c1
InChIInChI=1S/C18H20N2O2S/c1-5-13-14(11-7-6-8-12(9-11)22-4)15-17(21)19-16(10(2)3)20-18(15)23-13/h6-10H,5H2,1-4H3,(H,19,20,21)
InChIKeyMFHBJZJRFNGUGH-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.35
Rot. Bonds4

About 6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28868101) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28868101
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1sc2nc(C(C)C)[nH]c(=O)c2c1-c1cccc(OC)c1
InChIInChI=1S/C18H20N2O2S/c1-5-13-14(11-7-6-8-12(9-11)22-4)15-17(21)19-16(10(2)3)20-18(15)23-13/h6-10H,5H2,1-4H3,(H,19,20,21)
InChIKeyMFHBJZJRFNGUGH-UHFFFAOYSA-N
XLogP4.35
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868102
6-ethyl-2-(2-methoxyethyl)-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868283
5-(3,4-dichlorophenyl)-6-ethyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889183
5-(4-tert-butylphenyl)-6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868416
2-[(2,4-dichlorophenyl)methyl]-5-(3-methoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868656
5-(4-chloro-3-methylphenyl)-6-ethyl-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868288
ethyl 2-[(1S)-1-(3-methoxybenzoyl)oxyethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7648070
5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868484
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-methoxybenzoate
CID 7247416
2-benzyl-5-(4-chloro-3-methylphenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890552
[(1R)-1-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethyl] 3-methoxybenzoate
CID 7932770

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28868101) is 6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is CCc1sc2nc(C(C)C)[nH]c(=O)c2c1-c1cccc(OC)c1.
What is the InChIKey of 6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is MFHBJZJRFNGUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-5-13-14(11-7-6-8-12(9-11)22-4)15-17(21)19-16(10(2)3)20-18(15)23-13/h6-10H,5H2,1-4H3,(H,19,20,21).
What are the key properties of 6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 328.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28868101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).