butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate

C20H22N2O3S — CID 20998011

IUPACbutan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate
SMILESCCC(C)OC(=O)C(C)n1c(C)nc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C20H22N2O3S/c1-5-12(2)25-20(24)13(3)22-14(4)21-18-16(19(22)23)11-17(26-18)15-9-7-6-8-10-15/h6-13H,5H2,1-4H3
InChIKeyJNFYZXBKHPAAQI-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.34
Rot. Bonds5

About butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate

butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate (PubChem CID 20998011) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate.

Molecular Properties

Compound Namebutan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate
PubChem CID20998011
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Namebutan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate
SMILESCCC(C)OC(=O)C(C)n1c(C)nc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C20H22N2O3S/c1-5-12(2)25-20(24)13(3)22-14(4)21-18-16(19(22)23)11-17(26-18)15-9-7-6-8-10-15/h6-13H,5H2,1-4H3
InChIKeyJNFYZXBKHPAAQI-UHFFFAOYSA-N
XLogP4.34
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 23409763
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 23409888
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 23409821
ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
CID 1426430
2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
CID 1228645
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
CID 23410675
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
CID 23411280
3-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 23411358
methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
CID 1426424
N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409185
2-(3-amino-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid
CID 44590763
2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate
CID 4166482

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate?
The IUPAC name of butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate (CID 20998011) is butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate.
What is the SMILES notation for butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate?
The canonical SMILES for butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate is CCC(C)OC(=O)C(C)n1c(C)nc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate?
The InChIKey is JNFYZXBKHPAAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-5-12(2)25-20(24)13(3)22-14(4)21-18-16(19(22)23)11-17(26-18)15-9-7-6-8-10-15/h6-13H,5H2,1-4H3.
What are the key properties of butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate?
butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate has a molecular weight of 370.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate is sourced from PubChem (CID 20998011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).