(4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide

C5H5N5O — CID 135408698

IUPAC(4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide
SMILESN#CNc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C5H5N5O/c6-2-8-5-9-3(7)1-4(11)10-5/h1H,(H4,7,8,9,10,11)
InChIKeyJQZJMILBKZUKLV-UHFFFAOYSA-N
MW151.13 g/mol
LogP-0.75
Rot. Bonds1

About (4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide

(4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide (PubChem CID 135408698) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is (4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide.

Molecular Properties

Compound Name(4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide
PubChem CID135408698
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name(4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide
SMILESN#CNc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C5H5N5O/c6-2-8-5-9-3(7)1-4(11)10-5/h1H,(H4,7,8,9,10,11)
InChIKeyJQZJMILBKZUKLV-UHFFFAOYSA-N
XLogP-0.75
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide?
The IUPAC name of (4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide (CID 135408698) is (4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide.
What is the SMILES notation for (4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide?
The canonical SMILES for (4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide is N#CNc1nc(N)cc(=O)[nH]1.
What is the InChIKey of (4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide?
The InChIKey is JQZJMILBKZUKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c6-2-8-5-9-3(7)1-4(11)10-5/h1H,(H4,7,8,9,10,11).
What are the key properties of (4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide?
(4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide has a molecular weight of 151.13 g/mol, XLogP of -0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide is sourced from PubChem (CID 135408698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).