6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one

C10H16N4O — CID 18970273

IUPAC6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one
SMILESNCCCC/C=C/c1cnc(=O)[nH]c1N
InChIInChI=1S/C10H16N4O/c11-6-4-2-1-3-5-8-7-13-10(15)14-9(8)12/h3,5,7H,1-2,4,6,11H2,(H3,12,13,14,15)/b5-3+
InChIKeyJUAXJGOCTRECTG-HWKANZROSA-N
MW208.26 g/mol
LogP0.49
Rot. Bonds5

About 6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one

6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one (PubChem CID 18970273) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one
PubChem CID18970273
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one
SMILESNCCCC/C=C/c1cnc(=O)[nH]c1N
InChIInChI=1S/C10H16N4O/c11-6-4-2-1-3-5-8-7-13-10(15)14-9(8)12/h3,5,7H,1-2,4,6,11H2,(H3,12,13,14,15)/b5-3+
InChIKeyJUAXJGOCTRECTG-HWKANZROSA-N
XLogP0.49
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one (CID 18970273) is 6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one is NCCCC/C=C/c1cnc(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one?
The InChIKey is JUAXJGOCTRECTG-HWKANZROSA-N. The full InChI is InChI=1S/C10H16N4O/c11-6-4-2-1-3-5-8-7-13-10(15)14-9(8)12/h3,5,7H,1-2,4,6,11H2,(H3,12,13,14,15)/b5-3+.
What are the key properties of 6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one?
6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(E)-6-aminohex-1-enyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 18970273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).