2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide

C14H19F3N4O2S — CID 154870643

IUPAC2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCn1c(N)cc(=O)nc1SCC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H19F3N4O2S/c1-21-10(18)6-11(22)20-13(21)24-7-12(23)19-9-4-2-3-8(5-9)14(15,16)17/h6,8-9H,2-5,7,18H2,1H3,(H,19,23)
InChIKeyBQUNXXGYIJJQIR-UHFFFAOYSA-N
MW364.39 g/mol
LogP1.69
Rot. Bonds4

About 2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide

2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 154870643) has the molecular formula C14H19F3N4O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is 2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID154870643
Molecular FormulaC14H19F3N4O2S
Molecular Weight364.39 g/mol
Exact Mass364.12
IUPAC Name2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCn1c(N)cc(=O)nc1SCC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H19F3N4O2S/c1-21-10(18)6-11(22)20-13(21)24-7-12(23)19-9-4-2-3-8(5-9)14(15,16)17/h6,8-9H,2-5,7,18H2,1H3,(H,19,23)
InChIKeyBQUNXXGYIJJQIR-UHFFFAOYSA-N
XLogP1.69
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 154870643) is 2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide is Cn1c(N)cc(=O)nc1SCC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is BQUNXXGYIJJQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2S/c1-21-10(18)6-11(22)20-13(21)24-7-12(23)19-9-4-2-3-8(5-9)14(15,16)17/h6,8-9H,2-5,7,18H2,1H3,(H,19,23).
What are the key properties of 2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 364.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 154870643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).