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

C15H25N3O2S — CID 135500215

IUPACN,N-diethyl-2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1nc(SCC(=O)N(CC)CC)[nH]c(=O)c1CC
InChIInChI=1S/C15H25N3O2S/c1-5-9-12-11(6-2)14(20)17-15(16-12)21-10-13(19)18(7-3)8-4/h5-10H2,1-4H3,(H,16,17,20)
InChIKeyOBCDUCKYTOOXDQ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.25
Rot. Bonds8

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

N,N-diethyl-2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135500215) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135500215
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN,N-diethyl-2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1nc(SCC(=O)N(CC)CC)[nH]c(=O)c1CC
InChIInChI=1S/C15H25N3O2S/c1-5-9-12-11(6-2)14(20)17-15(16-12)21-10-13(19)18(7-3)8-4/h5-10H2,1-4H3,(H,16,17,20)
InChIKeyOBCDUCKYTOOXDQ-UHFFFAOYSA-N
XLogP2.25
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.25
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-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135500215) is N,N-diethyl-2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1nc(SCC(=O)N(CC)CC)[nH]c(=O)c1CC.
What is the InChIKey of N,N-diethyl-2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is OBCDUCKYTOOXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-9-12-11(6-2)14(20)17-15(16-12)21-10-13(19)18(7-3)8-4/h5-10H2,1-4H3,(H,16,17,20).
What are the key properties of N,N-diethyl-2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 311.45 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135500215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).