(2-amino-1H-pyrimidin-6-ylidene)methanone

C5H5N3O — CID 176546062

IUPAC(2-amino-1H-pyrimidin-6-ylidene)methanone
SMILESNC1=NC=CC(=C=O)N1
InChIInChI=1S/C5H5N3O/c6-5-7-2-1-4(3-9)8-5/h1-2H,(H3,6,7,8)
InChIKeyFKFNPIYMXQPOHQ-UHFFFAOYSA-N
MW123.11 g/mol
LogP-0.87
Rot. Bonds

About (2-amino-1H-pyrimidin-6-ylidene)methanone

(2-amino-1H-pyrimidin-6-ylidene)methanone (PubChem CID 176546062) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is (2-amino-1H-pyrimidin-6-ylidene)methanone.

Molecular Properties

Compound Name(2-amino-1H-pyrimidin-6-ylidene)methanone
PubChem CID176546062
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Name(2-amino-1H-pyrimidin-6-ylidene)methanone
SMILESNC1=NC=CC(=C=O)N1
InChIInChI=1S/C5H5N3O/c6-5-7-2-1-4(3-9)8-5/h1-2H,(H3,6,7,8)
InChIKeyFKFNPIYMXQPOHQ-UHFFFAOYSA-N
XLogP-0.87
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1H-pyrimidin-6-ylidene)methanone?
The IUPAC name of (2-amino-1H-pyrimidin-6-ylidene)methanone (CID 176546062) is (2-amino-1H-pyrimidin-6-ylidene)methanone.
What is the SMILES notation for (2-amino-1H-pyrimidin-6-ylidene)methanone?
The canonical SMILES for (2-amino-1H-pyrimidin-6-ylidene)methanone is NC1=NC=CC(=C=O)N1.
What is the InChIKey of (2-amino-1H-pyrimidin-6-ylidene)methanone?
The InChIKey is FKFNPIYMXQPOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c6-5-7-2-1-4(3-9)8-5/h1-2H,(H3,6,7,8).
What are the key properties of (2-amino-1H-pyrimidin-6-ylidene)methanone?
(2-amino-1H-pyrimidin-6-ylidene)methanone has a molecular weight of 123.11 g/mol, XLogP of -0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1H-pyrimidin-6-ylidene)methanone is sourced from PubChem (CID 176546062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).