5-methyl-6-octylquinazoline-2,4-diamine

C17H26N4 — CID 14478923

IUPAC5-methyl-6-octylquinazoline-2,4-diamine
SMILESCCCCCCCCc1ccc2nc(N)nc(N)c2c1C
InChIInChI=1S/C17H26N4/c1-3-4-5-6-7-8-9-13-10-11-14-15(12(13)2)16(18)21-17(19)20-14/h10-11H,3-9H2,1-2H3,(H4,18,19,20,21)
InChIKeyJPYXLPGVOXUSFJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.01
Rot. Bonds7

About 5-methyl-6-octylquinazoline-2,4-diamine

5-methyl-6-octylquinazoline-2,4-diamine (PubChem CID 14478923) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-methyl-6-octylquinazoline-2,4-diamine.

Molecular Properties

Compound Name5-methyl-6-octylquinazoline-2,4-diamine
PubChem CID14478923
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name5-methyl-6-octylquinazoline-2,4-diamine
SMILESCCCCCCCCc1ccc2nc(N)nc(N)c2c1C
InChIInChI=1S/C17H26N4/c1-3-4-5-6-7-8-9-13-10-11-14-15(12(13)2)16(18)21-17(19)20-14/h10-11H,3-9H2,1-2H3,(H4,18,19,20,21)
InChIKeyJPYXLPGVOXUSFJ-UHFFFAOYSA-N
XLogP4.01
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-diamino-5-methylquinazolin-6-yl)methanol
CID 57308602
5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
CID 44531624
5-methylquinazoline-2,4,6-triamine
CID 13413778
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
2,4-dihexyl-3-methylaniline
CID 174875923
6-methyl-3-pentylpyridin-2-amine
CID 167157111
5-hexylpyrimidine-2,4-diamine
CID 23086565
2-decyl-1-methylnaphthalene
CID 154261310
5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
CID 70422933
azane;1-(chloromethyl)-2,3-dimethyl-4-octylbenzene
CID 67829862
3-(5-amino-2-hexylphenyl)-4-hexylaniline
CID 69236433
3-octylquinolin-2-amine
CID 23131231

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-octylquinazoline-2,4-diamine?
The IUPAC name of 5-methyl-6-octylquinazoline-2,4-diamine (CID 14478923) is 5-methyl-6-octylquinazoline-2,4-diamine.
What is the SMILES notation for 5-methyl-6-octylquinazoline-2,4-diamine?
The canonical SMILES for 5-methyl-6-octylquinazoline-2,4-diamine is CCCCCCCCc1ccc2nc(N)nc(N)c2c1C.
What is the InChIKey of 5-methyl-6-octylquinazoline-2,4-diamine?
The InChIKey is JPYXLPGVOXUSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-4-5-6-7-8-9-13-10-11-14-15(12(13)2)16(18)21-17(19)20-14/h10-11H,3-9H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 5-methyl-6-octylquinazoline-2,4-diamine?
5-methyl-6-octylquinazoline-2,4-diamine has a molecular weight of 286.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-octylquinazoline-2,4-diamine is sourced from PubChem (CID 14478923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).