4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine

C15H18N4O — CID 89215816

IUPAC4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine
SMILESC#CCOc1cccc2nc(N)nc(NCCCC)c12
InChIInChI=1S/C15H18N4O/c1-3-5-9-17-14-13-11(18-15(16)19-14)7-6-8-12(13)20-10-4-2/h2,6-8H,3,5,9-10H2,1H3,(H3,16,17,18,19)
InChIKeyRIAMFAOCKOLOFT-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.44
Rot. Bonds6

About 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine

4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine (PubChem CID 89215816) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine
PubChem CID89215816
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine
SMILESC#CCOc1cccc2nc(N)nc(NCCCC)c12
InChIInChI=1S/C15H18N4O/c1-3-5-9-17-14-13-11(18-15(16)19-14)7-6-8-12(13)20-10-4-2/h2,6-8H,3,5,9-10H2,1H3,(H3,16,17,18,19)
InChIKeyRIAMFAOCKOLOFT-UHFFFAOYSA-N
XLogP2.44
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-N-butyl-5-prop-2-ynoxyquinazoline-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

Related Compounds

7-Methoxyquinazoline
CID 12213273
5-((1-(2,6-Dichlorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diamine
CID 53258905
5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
2,4-Quinazolinediamine, 5-methoxy-
CID 213752
5-(2-Fluorobenzyloxy)quinazoline-2,4-diamine
CID 24778025
7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
2-(7-Methoxy-4-methylquinazolin-2-yl)guanidine
CID 2835211
5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
CID 24778299
2,4-Quinazolinediamine, 5-ethoxy-
CID 461900
ZM 323881 hydrochloride
CID 22624897

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine?
The IUPAC name of 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine (CID 89215816) is 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine is C#CCOc1cccc2nc(N)nc(NCCCC)c12.
What is the InChIKey of 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine?
The InChIKey is RIAMFAOCKOLOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-5-9-17-14-13-11(18-15(16)19-14)7-6-8-12(13)20-10-4-2/h2,6-8H,3,5,9-10H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine?
4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine is sourced from PubChem (CID 89215816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).