4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine

C15H22N4O — CID 114944660

IUPAC4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine
SMILESCCOC(C)(C)CNc1nc(NC)nc2ccccc12
InChIInChI=1S/C15H22N4O/c1-5-20-15(2,3)10-17-13-11-8-6-7-9-12(11)18-14(16-4)19-13/h6-9H,5,10H2,1-4H3,(H2,16,17,18,19)
InChIKeyOJNZIZDMXNMAHV-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.90
Rot. Bonds6

About 4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine

4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine (PubChem CID 114944660) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine
PubChem CID114944660
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine
SMILESCCOC(C)(C)CNc1nc(NC)nc2ccccc12
InChIInChI=1S/C15H22N4O/c1-5-20-15(2,3)10-17-13-11-8-6-7-9-12(11)18-14(16-4)19-13/h6-9H,5,10H2,1-4H3,(H2,16,17,18,19)
InChIKeyOJNZIZDMXNMAHV-UHFFFAOYSA-N
XLogP2.90
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine (CID 114944660) is 4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine is CCOC(C)(C)CNc1nc(NC)nc2ccccc12.
What is the InChIKey of 4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine?
The InChIKey is OJNZIZDMXNMAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-20-15(2,3)10-17-13-11-8-6-7-9-12(11)18-14(16-4)19-13/h6-9H,5,10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine?
4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 114944660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).