6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione

C19H31N5O4 — CID 9355179

IUPAC6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N2CCCCCC2)c1=O
InChIInChI=1S/C19H31N5O4/c1-2-7-23-17(20)16(22-10-12-28-13-11-22)18(26)24(19(23)27)14-15(25)21-8-5-3-4-6-9-21/h2-14,20H2,1H3
InChIKeyWVKFALJSSPNPGP-UHFFFAOYSA-N
MW393.49 g/mol
LogP0.24
Rot. Bonds5

About 6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione

6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione (PubChem CID 9355179) has the molecular formula C19H31N5O4 and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
PubChem CID9355179
Molecular FormulaC19H31N5O4
Molecular Weight393.49 g/mol
Exact Mass393.24
IUPAC Name6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N2CCCCCC2)c1=O
InChIInChI=1S/C19H31N5O4/c1-2-7-23-17(20)16(22-10-12-28-13-11-22)18(26)24(19(23)27)14-15(25)21-8-5-3-4-6-9-21/h2-14,20H2,1H3
InChIKeyWVKFALJSSPNPGP-UHFFFAOYSA-N
XLogP0.24
TPSA102.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
CID 9355192
6-amino-1-butyl-3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-morpholin-4-ylpyrimidine-2,4-dione
CID 2453936
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9355235
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 25465292
6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
CID 9355170
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 9355194
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 25465766
2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9355302
5-amino-1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 63800611
6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 9355255
2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4843872
6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione
CID 71956368

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione (CID 9355179) is 6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N2CCCCCC2)c1=O.
What is the InChIKey of 6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione?
The InChIKey is WVKFALJSSPNPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O4/c1-2-7-23-17(20)16(22-10-12-28-13-11-22)18(26)24(19(23)27)14-15(25)21-8-5-3-4-6-9-21/h2-14,20H2,1H3.
What are the key properties of 6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione?
6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione has a molecular weight of 393.49 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9355179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).