N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide

C19H32N4O4 — CID 25163168

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)CC1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N4O4/c1-13(2)12-23-17(20)16(18(25)21-19(23)26)22(9-10-27-3)15(24)11-14-7-5-4-6-8-14/h13-14H,4-12,20H2,1-3H3,(H,21,25,26)
InChIKeyFGVSYHJXJSUXFY-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.72
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide (PubChem CID 25163168) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide
PubChem CID25163168
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)CC1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N4O4/c1-13(2)12-23-17(20)16(18(25)21-19(23)26)22(9-10-27-3)15(24)11-14-7-5-4-6-8-14/h13-14H,4-12,20H2,1-3H3,(H,21,25,26)
InChIKeyFGVSYHJXJSUXFY-UHFFFAOYSA-N
XLogP1.72
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide (CID 25163168) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide is COCCN(C(=O)CC1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide?
The InChIKey is FGVSYHJXJSUXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-13(2)12-23-17(20)16(18(25)21-19(23)26)22(9-10-27-3)15(24)11-14-7-5-4-6-8-14/h13-14H,4-12,20H2,1-3H3,(H,21,25,26).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 25163168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).