2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one

C6H7N3O2 — CID 45083023

IUPAC2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one
SMILESO=c1ccnc(N/C=C\O)[nH]1
InChIInChI=1S/C6H7N3O2/c10-4-3-8-6-7-2-1-5(11)9-6/h1-4,10H,(H2,7,8,9,11)/b4-3-
InChIKeyJXAFZOBRWJOVAQ-ARJAWSKDSA-N
MW153.14 g/mol
LogP0.21
Rot. Bonds2

About 2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one

2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one (PubChem CID 45083023) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one
PubChem CID45083023
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one
SMILESO=c1ccnc(N/C=C\O)[nH]1
InChIInChI=1S/C6H7N3O2/c10-4-3-8-6-7-2-1-5(11)9-6/h1-4,10H,(H2,7,8,9,11)/b4-3-
InChIKeyJXAFZOBRWJOVAQ-ARJAWSKDSA-N
XLogP0.21
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one (CID 45083023) is 2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one is O=c1ccnc(N/C=C\O)[nH]1.
What is the InChIKey of 2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one?
The InChIKey is JXAFZOBRWJOVAQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-4-3-8-6-7-2-1-5(11)9-6/h1-4,10H,(H2,7,8,9,11)/b4-3-.
What are the key properties of 2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one?
2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one has a molecular weight of 153.14 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 45083023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).