N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide

C19H30N4O4 — CID 8933546

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(=O)[nH]c1=O
InChIInChI=1S/C19H30N4O4/c1-3-6-23-17(20)16(18(25)21-19(23)26)22(7-8-27-2)15(24)11-14-10-12-4-5-13(14)9-12/h12-14H,3-11,20H2,1-2H3,(H,21,25,26)/t12-,13-,14+/m0/s1
InChIKeyWHCAPQCLWIICEG-MELADBBJSA-N
MW378.47 g/mol
LogP1.33
Rot. Bonds8

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 8933546) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide
PubChem CID8933546
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(=O)[nH]c1=O
InChIInChI=1S/C19H30N4O4/c1-3-6-23-17(20)16(18(25)21-19(23)26)22(7-8-27-2)15(24)11-14-10-12-4-5-13(14)9-12/h12-14H,3-11,20H2,1-2H3,(H,21,25,26)/t12-,13-,14+/m0/s1
InChIKeyWHCAPQCLWIICEG-MELADBBJSA-N
XLogP1.33
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide with MolForge

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Related Compounds

4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 2113064
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916769
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-(2-methoxyethyl)-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 9095229
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methoxyethyl)acetamide
CID 55338175
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-cyclopropyl-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55365658
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 26186059
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
CID 11940307
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclopropyl-1-(2-methoxyethyl)thiourea
CID 9093449
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-piperidin-1-ylacetamide
CID 8894420
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 26291971
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 4791005
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 39724067

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide (CID 8933546) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide is CCCn1c(N)c(N(CCOC)C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is WHCAPQCLWIICEG-MELADBBJSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-3-6-23-17(20)16(18(25)21-19(23)26)22(7-8-27-2)15(24)11-14-10-12-4-5-13(14)9-12/h12-14H,3-11,20H2,1-2H3,(H,21,25,26)/t12-,13-,14+/m0/s1.
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 378.47 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 8933546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).