6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione

C13H18N4O2 — CID 92534250

IUPAC6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(/N=C/[C@H]2CC=CCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H18N4O2/c1-16-11(14)10(12(18)17(2)13(16)19)15-8-9-6-4-3-5-7-9/h3-4,8-9H,5-7,14H2,1-2H3/b15-8+/t9-/m0/s1
InChIKeyZRHMIAGBVPXRHL-HVIDBACLSA-N
MW262.31 g/mol
LogP0.72
Rot. Bonds2

About 6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 92534250) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID92534250
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(/N=C/[C@H]2CC=CCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H18N4O2/c1-16-11(14)10(12(18)17(2)13(16)19)15-8-9-6-4-3-5-7-9/h3-4,8-9H,5-7,14H2,1-2H3/b15-8+/t9-/m0/s1
InChIKeyZRHMIAGBVPXRHL-HVIDBACLSA-N
XLogP0.72
TPSA82.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione (CID 92534250) is 6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(/N=C/[C@H]2CC=CCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ZRHMIAGBVPXRHL-HVIDBACLSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16-11(14)10(12(18)17(2)13(16)19)15-8-9-6-4-3-5-7-9/h3-4,8-9H,5-7,14H2,1-2H3/b15-8+/t9-/m0/s1.
What are the key properties of 6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 262.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 92534250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).