N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C11H17N3O3S — CID 799973

IUPACN,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(OC)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O3S/c1-4-14(5-2)10(16)7-18-11-12-8(15)6-9(13-11)17-3/h6H,4-5,7H2,1-3H3,(H,12,13,15)
InChIKeyCDNFXPLAHPPCMD-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.74
Rot. Bonds6

About N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 799973) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID799973
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(OC)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O3S/c1-4-14(5-2)10(16)7-18-11-12-8(15)6-9(13-11)17-3/h6H,4-5,7H2,1-3H3,(H,12,13,15)
InChIKeyCDNFXPLAHPPCMD-UHFFFAOYSA-N
XLogP0.74
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 799973) is N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1nc(OC)cc(=O)[nH]1.
What is the InChIKey of N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is CDNFXPLAHPPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-4-14(5-2)10(16)7-18-11-12-8(15)6-9(13-11)17-3/h6H,4-5,7H2,1-3H3,(H,12,13,15).
What are the key properties of N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 271.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 799973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).