N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C13H21N3O3S — CID 1073917

IUPACN,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C13H21N3O3S/c1-5-16(6-2)9(17)7-20-13-14-11(18)10(8(3)4)12(19)15-13/h8H,5-7H2,1-4H3,(H2,14,15,18,19)
InChIKeyHTPGNBIWFLYHOC-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.56
Rot. Bonds6

About N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 1073917) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID1073917
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C13H21N3O3S/c1-5-16(6-2)9(17)7-20-13-14-11(18)10(8(3)4)12(19)15-13/h8H,5-7H2,1-4H3,(H2,14,15,18,19)
InChIKeyHTPGNBIWFLYHOC-UHFFFAOYSA-N
XLogP1.56
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 1073917) is N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is HTPGNBIWFLYHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-5-16(6-2)9(17)7-20-13-14-11(18)10(8(3)4)12(19)15-13/h8H,5-7H2,1-4H3,(H2,14,15,18,19).
What are the key properties of N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 299.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1073917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).