5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione

C17H21N5O2 — CID 167929128

IUPAC5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
SMILESCCC1(CC)CNC(=O)N(Cc2ccc(-n3ccnc3)nc2)C1=O
InChIInChI=1S/C17H21N5O2/c1-3-17(4-2)11-20-16(24)22(15(17)23)10-13-5-6-14(19-9-13)21-8-7-18-12-21/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,24)
InChIKeyJHRSUWHHAPENSB-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.13
Rot. Bonds5

About 5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione

5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 167929128) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID167929128
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
SMILESCCC1(CC)CNC(=O)N(Cc2ccc(-n3ccnc3)nc2)C1=O
InChIInChI=1S/C17H21N5O2/c1-3-17(4-2)11-20-16(24)22(15(17)23)10-13-5-6-14(19-9-13)21-8-7-18-12-21/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,24)
InChIKeyJHRSUWHHAPENSB-UHFFFAOYSA-N
XLogP2.13
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione (CID 167929128) is 5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione is CCC1(CC)CNC(=O)N(Cc2ccc(-n3ccnc3)nc2)C1=O.
What is the InChIKey of 5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is JHRSUWHHAPENSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-17(4-2)11-20-16(24)22(15(17)23)10-13-5-6-14(19-9-13)21-8-7-18-12-21/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,24).
What are the key properties of 5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 327.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167929128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).