N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C15H21N3O3S — CID 110002544

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCC(C)(CCO)NC(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C15H21N3O3S/c1-3-15(2,6-8-19)17-12(20)4-7-18-10-16-13-11(14(18)21)5-9-22-13/h5,9-10,19H,3-4,6-8H2,1-2H3,(H,17,20)
InChIKeyBMDGESDVCYVWMU-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.52
Rot. Bonds7

About N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 110002544) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID110002544
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCC(C)(CCO)NC(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C15H21N3O3S/c1-3-15(2,6-8-19)17-12(20)4-7-18-10-16-13-11(14(18)21)5-9-22-13/h5,9-10,19H,3-4,6-8H2,1-2H3,(H,17,20)
InChIKeyBMDGESDVCYVWMU-UHFFFAOYSA-N
XLogP1.52
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 119608766
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 51310536
N-(2-hydroxyethyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 110886024
3-methyl-N-[4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]phenyl]butanamide
CID 33030651
2-[2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119242258
(2S)-2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]hexanoic acid
CID 120614267
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 39467752
N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 103946026
5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide
CID 63578956
N-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
CID 120557891
6-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]hexanoic acid
CID 119220091

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 110002544) is N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is CCC(C)(CCO)NC(=O)CCn1cnc2sccc2c1=O.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is BMDGESDVCYVWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-3-15(2,6-8-19)17-12(20)4-7-18-10-16-13-11(14(18)21)5-9-22-13/h5,9-10,19H,3-4,6-8H2,1-2H3,(H,17,20).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 323.42 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 110002544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).