2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine

C19H18N10 — CID 168994760

IUPAC2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine
SMILESCC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(N=[N+]=[N-])nc21
InChIInChI=1S/C19H18N10/c1-12(2)29-11-24-16-17(25-19(27-28-20)26-18(16)29)23-9-13-5-6-15(22-8-13)14-4-3-7-21-10-14/h3-8,10-12H,9H2,1-2H3,(H,23,25,26)
InChIKeyWNOMWGXWOUCUMW-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.42
Rot. Bonds6

About 2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine

2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine (PubChem CID 168994760) has the molecular formula C19H18N10 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine.

Molecular Properties

Compound Name2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine
PubChem CID168994760
Molecular FormulaC19H18N10
Molecular Weight386.42 g/mol
Exact Mass386.17
IUPAC Name2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine
SMILESCC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(N=[N+]=[N-])nc21
InChIInChI=1S/C19H18N10/c1-12(2)29-11-24-16-17(25-19(27-28-20)26-18(16)29)23-9-13-5-6-15(22-8-13)14-4-3-7-21-10-14/h3-8,10-12H,9H2,1-2H3,(H,23,25,26)
InChIKeyWNOMWGXWOUCUMW-UHFFFAOYSA-N
XLogP4.42
TPSA130.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-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 2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine?
The IUPAC name of 2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine (CID 168994760) is 2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine.
What is the SMILES notation for 2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine?
The canonical SMILES for 2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine is CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(N=[N+]=[N-])nc21.
What is the InChIKey of 2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine?
The InChIKey is WNOMWGXWOUCUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N10/c1-12(2)29-11-24-16-17(25-19(27-28-20)26-18(16)29)23-9-13-5-6-15(22-8-13)14-4-3-7-21-10-14/h3-8,10-12H,9H2,1-2H3,(H,23,25,26).
What are the key properties of 2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine?
2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine has a molecular weight of 386.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine is sourced from PubChem (CID 168994760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).