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

C16H19N3O2S — CID 135405931

IUPACN,N-diethyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C16H19N3O2S/c1-3-19(4-2)15(21)11-22-16-17-13(10-14(20)18-16)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,17,18,20)
InChIKeyWIDNCOHJTLDXDZ-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.40
Rot. Bonds6

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

N,N-diethyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135405931) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N,N-diethyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135405931
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN,N-diethyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C16H19N3O2S/c1-3-19(4-2)15(21)11-22-16-17-13(10-14(20)18-16)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,17,18,20)
InChIKeyWIDNCOHJTLDXDZ-UHFFFAOYSA-N
XLogP2.40
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135405931) is N,N-diethyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of N,N-diethyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is WIDNCOHJTLDXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-19(4-2)15(21)11-22-16-17-13(10-14(20)18-16)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,17,18,20).
What are the key properties of N,N-diethyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135405931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).