N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide

C13H18N4O2S — CID 136713557

IUPACN-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide
SMILESCCN(C)C(=O)C(C)NCc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C13H18N4O2S/c1-4-17(3)13(19)8(2)14-7-10-15-9-5-6-20-11(9)12(18)16-10/h5-6,8,14H,4,7H2,1-3H3,(H,15,16,18)
InChIKeyQJZAOYIAZWCUOK-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.94
Rot. Bonds5

About N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide

N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide (PubChem CID 136713557) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide
PubChem CID136713557
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide
SMILESCCN(C)C(=O)C(C)NCc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C13H18N4O2S/c1-4-17(3)13(19)8(2)14-7-10-15-9-5-6-20-11(9)12(18)16-10/h5-6,8,14H,4,7H2,1-3H3,(H,15,16,18)
InChIKeyQJZAOYIAZWCUOK-UHFFFAOYSA-N
XLogP0.94
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135417422
Ethyl 4-[2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-D]pyrimidin-3(4H)-YL]tetrahydro-1(2H)-pyridinecarboxylate
CID 9550584
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-3-methylthiophene-2-carboxamide
CID 54758127
2-(Cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719988
2-(Cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719989
3-Ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729736
2-(Cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729740
3-Ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729741
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 7217021
3H-Thieno[3,2-d]pyrimidin-4-one, 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethylsulfanyl]-
CID 3677285
2-((methylamino)methyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135600413
3-ethyl-2-(propylsulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 3484012

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide (CID 136713557) is N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide is CCN(C)C(=O)C(C)NCc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide?
The InChIKey is QJZAOYIAZWCUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-17(3)13(19)8(2)14-7-10-15-9-5-6-20-11(9)12(18)16-10/h5-6,8,14H,4,7H2,1-3H3,(H,15,16,18).
What are the key properties of N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide?
N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide has a molecular weight of 294.38 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide is sourced from PubChem (CID 136713557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).