N-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide

C13H14N6O2 — CID 135460305

IUPACN-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide
SMILESCN(C)c1nc(NC=O)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H14N6O2/c1-19(2)13-15-11(14-8-20)10(12(21)16-13)18-17-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,14,15,16,20,21)/b18-17+
InChIKeyBHQKOCTUTWQYEP-ISLYRVAYSA-N
MW286.30 g/mol
LogP1.82
Rot. Bonds5

About N-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide

N-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide (PubChem CID 135460305) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide
PubChem CID135460305
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC NameN-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide
SMILESCN(C)c1nc(NC=O)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H14N6O2/c1-19(2)13-15-11(14-8-20)10(12(21)16-13)18-17-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,14,15,16,20,21)/b18-17+
InChIKeyBHQKOCTUTWQYEP-ISLYRVAYSA-N
XLogP1.82
TPSA102.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide?
The IUPAC name of N-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide (CID 135460305) is N-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide.
What is the SMILES notation for N-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide?
The canonical SMILES for N-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide is CN(C)c1nc(NC=O)c(/N=N/c2ccccc2)c(=O)[nH]1.
What is the InChIKey of N-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide?
The InChIKey is BHQKOCTUTWQYEP-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-19(2)13-15-11(14-8-20)10(12(21)16-13)18-17-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,14,15,16,20,21)/b18-17+.
What are the key properties of N-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide?
N-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide has a molecular weight of 286.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl]formamide is sourced from PubChem (CID 135460305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).