azane;pyrimidin-2-amine

C4H38N14 — CID 174721479

IUPACazane;pyrimidin-2-amine
SMILESN.N.N.N.N.N.N.N.N.N.N.Nc1ncccn1
InChIInChI=1S/C4H5N3.11H3N/c5-4-6-2-1-3-7-4;;;;;;;;;;;/h1-3H,(H2,5,6,7);11*1H3
InChIKeyVRCULGSVIAJXOW-UHFFFAOYSA-N
MW282.45 g/mol
LogP1.84
Rot. Bonds

About azane;pyrimidin-2-amine

azane;pyrimidin-2-amine (PubChem CID 174721479) has the molecular formula C4H38N14 and a molecular weight of 282.45 g/mol. Its IUPAC name is azane;pyrimidin-2-amine.

Molecular Properties

Compound Nameazane;pyrimidin-2-amine
PubChem CID174721479
Molecular FormulaC4H38N14
Molecular Weight282.45 g/mol
Exact Mass282.34
IUPAC Nameazane;pyrimidin-2-amine
SMILESN.N.N.N.N.N.N.N.N.N.N.Nc1ncccn1
InChIInChI=1S/C4H5N3.11H3N/c5-4-6-2-1-3-7-4;;;;;;;;;;;/h1-3H,(H2,5,6,7);11*1H3
InChIKeyVRCULGSVIAJXOW-UHFFFAOYSA-N
XLogP1.84
TPSA436.80 Ų
H-Bond Donors12
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500282.45
LogP ≤ 51.84
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1014

Analyze azane;pyrimidin-2-amine 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 azane;pyrimidin-2-amine?
The IUPAC name of azane;pyrimidin-2-amine (CID 174721479) is azane;pyrimidin-2-amine.
What is the SMILES notation for azane;pyrimidin-2-amine?
The canonical SMILES for azane;pyrimidin-2-amine is N.N.N.N.N.N.N.N.N.N.N.Nc1ncccn1.
What is the InChIKey of azane;pyrimidin-2-amine?
The InChIKey is VRCULGSVIAJXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3.11H3N/c5-4-6-2-1-3-7-4;;;;;;;;;;;/h1-3H,(H2,5,6,7);11*1H3.
What are the key properties of azane;pyrimidin-2-amine?
azane;pyrimidin-2-amine has a molecular weight of 282.45 g/mol, XLogP of 1.84, 0 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pyrimidin-2-amine is sourced from PubChem (CID 174721479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).