4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine

C17H26N4 — CID 107819014

IUPAC4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine
SMILESCCCCC(CC)CNc1nc(NC)nc2ccccc12
InChIInChI=1S/C17H26N4/c1-4-6-9-13(5-2)12-19-16-14-10-7-8-11-15(14)20-17(18-3)21-16/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H2,18,19,20,21)
InChIKeyIOJXPYFSCDDGQK-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.30
Rot. Bonds8

About 4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine

4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine (PubChem CID 107819014) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine
PubChem CID107819014
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine
SMILESCCCCC(CC)CNc1nc(NC)nc2ccccc12
InChIInChI=1S/C17H26N4/c1-4-6-9-13(5-2)12-19-16-14-10-7-8-11-15(14)20-17(18-3)21-16/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H2,18,19,20,21)
InChIKeyIOJXPYFSCDDGQK-UHFFFAOYSA-N
XLogP4.30
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylhexyl)-2-hydrazinylquinazolin-4-amine
CID 107819198
2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine
CID 80782825
4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
CID 80792753
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170
N-(2-ethylhexyl)-1,3-benzothiazol-2-amine
CID 103603194
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine
CID 80812879
N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
CID 80787683
4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80773003
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 80922127
2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine
CID 56584916
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80775529

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine (CID 107819014) is 4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine is CCCCC(CC)CNc1nc(NC)nc2ccccc12.
What is the InChIKey of 4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine?
The InChIKey is IOJXPYFSCDDGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-6-9-13(5-2)12-19-16-14-10-7-8-11-15(14)20-17(18-3)21-16/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine?
4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine has a molecular weight of 286.42 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 107819014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).