2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C21H35N5O4 — CID 9355302

IUPAC2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N[C@@H]2CCCC[C@H]2C)c1=O
InChIInChI=1S/C21H35N5O4/c1-3-4-9-25-19(22)18(24-10-12-30-13-11-24)20(28)26(21(25)29)14-17(27)23-16-8-6-5-7-15(16)2/h15-16H,3-14,22H2,1-2H3,(H,23,27)/t15-,16-/m1/s1
InChIKeyQBDJJXKJURXFEF-HZPDHXFCSA-N
MW421.54 g/mol
LogP0.92
Rot. Bonds7

About 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 9355302) has the molecular formula C21H35N5O4 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID9355302
Molecular FormulaC21H35N5O4
Molecular Weight421.54 g/mol
Exact Mass421.27
IUPAC Name2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N[C@@H]2CCCC[C@H]2C)c1=O
InChIInChI=1S/C21H35N5O4/c1-3-4-9-25-19(22)18(24-10-12-30-13-11-24)20(28)26(21(25)29)14-17(27)23-16-8-6-5-7-15(16)2/h15-16H,3-14,22H2,1-2H3,(H,23,27)/t15-,16-/m1/s1
InChIKeyQBDJJXKJURXFEF-HZPDHXFCSA-N
XLogP0.92
TPSA111.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 9355255
N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756880
2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9355126
6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
CID 9355192
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(1S,2S)-2-methylcyclohexyl]-1-propylthiourea
CID 9093924
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-methylcyclohexyl)acetamide
CID 108794994
6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione
CID 60649267
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
CID 9355170
N-(2-methylcyclohexyl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 134051309

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 9355302) is 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide is CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N[C@@H]2CCCC[C@H]2C)c1=O.
What is the InChIKey of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is QBDJJXKJURXFEF-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H35N5O4/c1-3-4-9-25-19(22)18(24-10-12-30-13-11-24)20(28)26(21(25)29)14-17(27)23-16-8-6-5-7-15(16)2/h15-16H,3-14,22H2,1-2H3,(H,23,27)/t15-,16-/m1/s1.
What are the key properties of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 421.54 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 9355302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).