2-nitrosopyrimidine-4,6-diamine

C4H5N5O — CID 154192372

IUPAC2-nitrosopyrimidine-4,6-diamine
SMILESNc1cc(N)nc(N=O)n1
InChIInChI=1S/C4H5N5O/c5-2-1-3(6)8-4(7-2)9-10/h1H,(H4,5,6,7,8)
InChIKeyJHDHFHGEWIBGNB-UHFFFAOYSA-N
MW139.12 g/mol
LogP0.04
Rot. Bonds1

About 2-nitrosopyrimidine-4,6-diamine

2-nitrosopyrimidine-4,6-diamine (PubChem CID 154192372) has the molecular formula C4H5N5O and a molecular weight of 139.12 g/mol. Its IUPAC name is 2-nitrosopyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-nitrosopyrimidine-4,6-diamine
PubChem CID154192372
Molecular FormulaC4H5N5O
Molecular Weight139.12 g/mol
Exact Mass139.05
IUPAC Name2-nitrosopyrimidine-4,6-diamine
SMILESNc1cc(N)nc(N=O)n1
InChIInChI=1S/C4H5N5O/c5-2-1-3(6)8-4(7-2)9-10/h1H,(H4,5,6,7,8)
InChIKeyJHDHFHGEWIBGNB-UHFFFAOYSA-N
XLogP0.04
TPSA107.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-nitrosopyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-nitrosopyrimidine-4,6-diamine?
The IUPAC name of 2-nitrosopyrimidine-4,6-diamine (CID 154192372) is 2-nitrosopyrimidine-4,6-diamine.
What is the SMILES notation for 2-nitrosopyrimidine-4,6-diamine?
The canonical SMILES for 2-nitrosopyrimidine-4,6-diamine is Nc1cc(N)nc(N=O)n1.
What is the InChIKey of 2-nitrosopyrimidine-4,6-diamine?
The InChIKey is JHDHFHGEWIBGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O/c5-2-1-3(6)8-4(7-2)9-10/h1H,(H4,5,6,7,8).
What are the key properties of 2-nitrosopyrimidine-4,6-diamine?
2-nitrosopyrimidine-4,6-diamine has a molecular weight of 139.12 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosopyrimidine-4,6-diamine is sourced from PubChem (CID 154192372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).