(5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide

C12H14N4O2 — CID 7035831

IUPAC(5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide
SMILES[H]/N=C(\N)[C@H]1CN(Cc2ccccc2)C(=O)NC1=O
InChIInChI=1S/C12H14N4O2/c13-10(14)9-7-16(12(18)15-11(9)17)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,13,14)(H,15,17,18)/t9-/m1/s1
InChIKeyIUDFLJQKOKLSCD-SECBINFHSA-N
MW246.27 g/mol
LogP0.29
Rot. Bonds3

About (5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide

(5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide (PubChem CID 7035831) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is (5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide.

Molecular Properties

Compound Name(5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide
PubChem CID7035831
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name(5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide
SMILES[H]/N=C(\N)[C@H]1CN(Cc2ccccc2)C(=O)NC1=O
InChIInChI=1S/C12H14N4O2/c13-10(14)9-7-16(12(18)15-11(9)17)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,13,14)(H,15,17,18)/t9-/m1/s1
InChIKeyIUDFLJQKOKLSCD-SECBINFHSA-N
XLogP0.29
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-5-chloro-1,3-diazinane-2,4-dione
CID 78209180
1,5-dibenzyl-1,3-diazinane-2,4-dione
CID 78176419
1-benzyl-2,4-dioxo-1,3-diazinane-5-carbonitrile
CID 76844517
3-acetyl-1-benzylazetidin-2-one
CID 13222627
(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129
1-benzylimidazolidine-2,4-dione;2-cyclohexylacetamide
CID 68593758
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
(7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one
CID 10751244
3-(5-carbamoyl-2,4-dioxo-1,3-diazinan-1-yl)propanoic acid
CID 138058739
1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 131329119
bis(1-benzylimidazolidine-2,4-dione);hexanamide
CID 161337897
5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione
CID 76875693

Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide?
The IUPAC name of (5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide (CID 7035831) is (5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide.
What is the SMILES notation for (5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide?
The canonical SMILES for (5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide is [H]/N=C(\N)[C@H]1CN(Cc2ccccc2)C(=O)NC1=O.
What is the InChIKey of (5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide?
The InChIKey is IUDFLJQKOKLSCD-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-10(14)9-7-16(12(18)15-11(9)17)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,13,14)(H,15,17,18)/t9-/m1/s1.
What are the key properties of (5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide?
(5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide has a molecular weight of 246.27 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide is sourced from PubChem (CID 7035831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).