2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine

C13H17N5O — CID 83027065

IUPAC2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine
SMILESCNc1nc(NN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C13H17N5O/c1-14-13-15-11-5-3-2-4-10(11)12(16-13)17-18-6-8-19-9-7-18/h2-5H,6-9H2,1H3,(H2,14,15,16,17)
InChIKeyDJDBSDFJFHILDN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.33
Rot. Bonds3

About 2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine

2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine (PubChem CID 83027065) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine
PubChem CID83027065
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine
SMILESCNc1nc(NN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C13H17N5O/c1-14-13-15-11-5-3-2-4-10(11)12(16-13)17-18-6-8-19-9-7-18/h2-5H,6-9H2,1H3,(H2,14,15,16,17)
InChIKeyDJDBSDFJFHILDN-UHFFFAOYSA-N
XLogP1.33
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-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-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine (CID 83027065) is 2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine is CNc1nc(NN2CCOCC2)c2ccccc2n1.
What is the InChIKey of 2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine?
The InChIKey is DJDBSDFJFHILDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-14-13-15-11-5-3-2-4-10(11)12(16-13)17-18-6-8-19-9-7-18/h2-5H,6-9H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine?
2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine has a molecular weight of 259.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine is sourced from PubChem (CID 83027065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).