5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C17H30N4O3 — CID 135956356

IUPAC5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN(CC)CCC[C@@H](C)/N=C(\C)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H30N4O3/c1-7-21(8-2)11-9-10-12(3)18-13(4)14-15(22)19(5)17(24)20(6)16(14)23/h12,22H,7-11H2,1-6H3/b18-13+/t12-/m1/s1
InChIKeyCXHWMNMKDNQOHK-SLDGYZHNSA-N
MW338.45 g/mol
LogP1.11
Rot. Bonds8

About 5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 135956356) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID135956356
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN(CC)CCC[C@@H](C)/N=C(\C)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H30N4O3/c1-7-21(8-2)11-9-10-12(3)18-13(4)14-15(22)19(5)17(24)20(6)16(14)23/h12,22H,7-11H2,1-6H3/b18-13+/t12-/m1/s1
InChIKeyCXHWMNMKDNQOHK-SLDGYZHNSA-N
XLogP1.11
TPSA79.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 657683
2-[5-(diethylamino)pentan-2-yl]guanidine
CID 62358805
5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 3796868
4-hydroxy-1,3-dimethyl-2,6-dioxo-N,N'-di(propan-2-yl)pyrimidine-5-carboximidamide
CID 136717307
1-benzyl-5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 136916298
6-hydroxy-1,3-dimethyl-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
CID 4269333
6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione
CID 136593527
5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 4565012
5-amino-N-[5-(diethylamino)pentan-2-yl]-1-methylpyrazole-4-carboxamide
CID 115330341
1-(4-bromophenyl)-5-[[(2S)-5-(diethylamino)pentan-2-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 135885521
6-hydroxy-5-[1-(methoxyamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione
CID 123552336
N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 3126535

Frequently Asked Questions

What is the IUPAC name of 5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 135956356) is 5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is CCN(CC)CCC[C@@H](C)/N=C(\C)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is CXHWMNMKDNQOHK-SLDGYZHNSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-7-21(8-2)11-9-10-12(3)18-13(4)14-15(22)19(5)17(24)20(6)16(14)23/h12,22H,7-11H2,1-6H3/b18-13+/t12-/m1/s1.
What are the key properties of 5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 338.45 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 135956356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).