2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide

C11H17N3O2S — CID 135561860

IUPAC2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCc1nc(SCC(=O)NC(C)C)[nH]c(=O)c1C
InChIInChI=1S/C11H17N3O2S/c1-6(2)12-9(15)5-17-11-13-8(4)7(3)10(16)14-11/h6H,5H2,1-4H3,(H,12,15)(H,13,14,16)
InChIKeyRMNVWCLBPNUCDY-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.00
Rot. Bonds4

About 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide

2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide (PubChem CID 135561860) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
PubChem CID135561860
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCc1nc(SCC(=O)NC(C)C)[nH]c(=O)c1C
InChIInChI=1S/C11H17N3O2S/c1-6(2)12-9(15)5-17-11-13-8(4)7(3)10(16)14-11/h6H,5H2,1-4H3,(H,12,15)(H,13,14,16)
InChIKeyRMNVWCLBPNUCDY-UHFFFAOYSA-N
XLogP1.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide (CID 135561860) is 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide is Cc1nc(SCC(=O)NC(C)C)[nH]c(=O)c1C.
What is the InChIKey of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is RMNVWCLBPNUCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-6(2)12-9(15)5-17-11-13-8(4)7(3)10(16)14-11/h6H,5H2,1-4H3,(H,12,15)(H,13,14,16).
What are the key properties of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 255.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 135561860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).