2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide

C17H28N4O4 — CID 42951951

IUPAC2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCOCCn1c(N)cc(=O)n(CC(=O)NC2CCCC(C)C2C)c1=O
InChIInChI=1S/C17H28N4O4/c1-11-5-4-6-13(12(11)2)19-15(22)10-21-16(23)9-14(18)20(17(21)24)7-8-25-3/h9,11-13H,4-8,10,18H2,1-3H3,(H,19,22)
InChIKeyOSJJBFLBCKEQJX-UHFFFAOYSA-N
MW352.44 g/mol
LogP0.18
Rot. Bonds6

About 2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide

2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 42951951) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID42951951
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Name2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCOCCn1c(N)cc(=O)n(CC(=O)NC2CCCC(C)C2C)c1=O
InChIInChI=1S/C17H28N4O4/c1-11-5-4-6-13(12(11)2)19-15(22)10-21-16(23)9-14(18)20(17(21)24)7-8-25-3/h9,11-13H,4-8,10,18H2,1-3H3,(H,19,22)
InChIKeyOSJJBFLBCKEQJX-UHFFFAOYSA-N
XLogP0.18
TPSA108.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide (CID 42951951) is 2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide is COCCn1c(N)cc(=O)n(CC(=O)NC2CCCC(C)C2C)c1=O.
What is the InChIKey of 2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is OSJJBFLBCKEQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-11-5-4-6-13(12(11)2)19-15(22)10-21-16(23)9-14(18)20(17(21)24)7-8-25-3/h9,11-13H,4-8,10,18H2,1-3H3,(H,19,22).
What are the key properties of 2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 42951951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).