2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine

C16H25N5O — CID 67717702

IUPAC2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NCCCCCCN)nc2c(OC)cccc12
InChIInChI=1S/C16H25N5O/c1-18-15-12-8-7-9-13(22-2)14(12)20-16(21-15)19-11-6-4-3-5-10-17/h7-9H,3-6,10-11,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyFBOIXRNSTBGWHU-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.61
Rot. Bonds9

About 2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine

2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine (PubChem CID 67717702) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine
PubChem CID67717702
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NCCCCCCN)nc2c(OC)cccc12
InChIInChI=1S/C16H25N5O/c1-18-15-12-8-7-9-13(22-2)14(12)20-16(21-15)19-11-6-4-3-5-10-17/h7-9H,3-6,10-11,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyFBOIXRNSTBGWHU-UHFFFAOYSA-N
XLogP2.61
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine with MolForge

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Related Compounds

2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine
CID 67717855
N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
CID 107844863
N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323661
N'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
(8-methoxy-4-methylquinazolin-2-yl)methanamine
CID 84777278
8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine
CID 10248595
8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 19988739
8-methoxy-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 55062637
4-(8-methoxyquinolin-4-yl)butan-1-amine
CID 10609508
4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 67720335
7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine
CID 171853001
2-N-[[3-(aminomethyl)cyclohexyl]methyl]-8-methoxyquinazoline-2,4-diamine
CID 67720046

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine (CID 67717702) is 2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine is CNc1nc(NCCCCCCN)nc2c(OC)cccc12.
What is the InChIKey of 2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine?
The InChIKey is FBOIXRNSTBGWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-18-15-12-8-7-9-13(22-2)14(12)20-16(21-15)19-11-6-4-3-5-10-17/h7-9H,3-6,10-11,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine?
2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine has a molecular weight of 303.41 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-aminohexyl)-8-methoxy-4-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 67717702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).