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

C13H20N4O2S — CID 135512300

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)NCC2CCCCC2)n1
InChIInChI=1S/C13H20N4O2S/c14-10-6-11(18)17-13(16-10)20-8-12(19)15-7-9-4-2-1-3-5-9/h6,9H,1-5,7-8H2,(H,15,19)(H3,14,16,17,18)
InChIKeyNBWFQYLTANXEPP-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.14
Rot. Bonds5

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

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide (PubChem CID 135512300) 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-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide
PubChem CID135512300
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)NCC2CCCCC2)n1
InChIInChI=1S/C13H20N4O2S/c14-10-6-11(18)17-13(16-10)20-8-12(19)15-7-9-4-2-1-3-5-9/h6,9H,1-5,7-8H2,(H,15,19)(H3,14,16,17,18)
InChIKeyNBWFQYLTANXEPP-UHFFFAOYSA-N
XLogP1.14
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.14
H-Bond Donors ≤ 53
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-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide (CID 135512300) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide is Nc1cc(=O)[nH]c(SCC(=O)NCC2CCCCC2)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide?
The InChIKey is NBWFQYLTANXEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c14-10-6-11(18)17-13(16-10)20-8-12(19)15-7-9-4-2-1-3-5-9/h6,9H,1-5,7-8H2,(H,15,19)(H3,14,16,17,18).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide has a molecular weight of 296.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 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-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 135512300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).