5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one

C10H16N4O2 — CID 136977487

IUPAC5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one
SMILESC=C(C)COCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O2/c1-7(2)5-16-4-3-12-9-8(11)10(15)14-6-13-9/h6H,1,3-5,11H2,2H3,(H2,12,13,14,15)
InChIKeyZZMOFYFBJVAWMR-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.36
Rot. Bonds6

About 5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one

5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136977487) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one
PubChem CID136977487
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one
SMILESC=C(C)COCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O2/c1-7(2)5-16-4-3-12-9-8(11)10(15)14-6-13-9/h6H,1,3-5,11H2,2H3,(H2,12,13,14,15)
InChIKeyZZMOFYFBJVAWMR-UHFFFAOYSA-N
XLogP0.36
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one (CID 136977487) is 5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one is C=C(C)COCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is ZZMOFYFBJVAWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7(2)5-16-4-3-12-9-8(11)10(15)14-6-13-9/h6H,1,3-5,11H2,2H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).