2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide

C13H20N4O2S — CID 135464476

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1nc(N)cc(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H20N4O2S/c1-17(9-5-3-2-4-6-9)12(19)8-20-13-15-10(14)7-11(18)16-13/h7,9H,2-6,8H2,1H3,(H3,14,15,16,18)
InChIKeyWVGUGXPADFGOCA-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.24
Rot. Bonds4

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide (PubChem CID 135464476) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
PubChem CID135464476
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1nc(N)cc(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H20N4O2S/c1-17(9-5-3-2-4-6-9)12(19)8-20-13-15-10(14)7-11(18)16-13/h7,9H,2-6,8H2,1H3,(H3,14,15,16,18)
InChIKeyWVGUGXPADFGOCA-UHFFFAOYSA-N
XLogP1.24
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide (CID 135464476) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide is CN(C(=O)CSc1nc(N)cc(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is WVGUGXPADFGOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-17(9-5-3-2-4-6-9)12(19)8-20-13-15-10(14)7-11(18)16-13/h7,9H,2-6,8H2,1H3,(H3,14,15,16,18).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 296.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 135464476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).