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

C17H18N2O2S — CID 28868102

IUPAC5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2c(C)sc3nc(C(C)C)[nH]c(=O)c23)c1
InChIInChI=1S/C17H18N2O2S/c1-9(2)15-18-16(20)14-13(10(3)22-17(14)19-15)11-6-5-7-12(8-11)21-4/h5-9H,1-4H3,(H,18,19,20)
InChIKeyYMNPHGIKVDQRQD-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.09
Rot. Bonds3

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

5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28868102) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28868102
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2c(C)sc3nc(C(C)C)[nH]c(=O)c23)c1
InChIInChI=1S/C17H18N2O2S/c1-9(2)15-18-16(20)14-13(10(3)22-17(14)19-15)11-6-5-7-12(8-11)21-4/h5-9H,1-4H3,(H,18,19,20)
InChIKeyYMNPHGIKVDQRQD-UHFFFAOYSA-N
XLogP4.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-5-(3-methoxyphenyl)-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868101
2-[(2,4-dichlorophenyl)methyl]-5-(3-methoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868656
2-(1-chloroethyl)-5-(3,4-dichlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065001
[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-methoxybenzoate
CID 7247416
6-ethyl-2-(2-methoxyethyl)-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868283
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442
N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 53250243
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769495
2-[5-(3-methoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile
CID 39159315
2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889421
3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one
CID 125458438

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28868102) is 5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is COc1cccc(-c2c(C)sc3nc(C(C)C)[nH]c(=O)c23)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YMNPHGIKVDQRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-9(2)15-18-16(20)14-13(10(3)22-17(14)19-15)11-6-5-7-12(8-11)21-4/h5-9H,1-4H3,(H,18,19,20).
What are the key properties of 5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 314.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28868102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).