2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine

C17H26N4 — CID 80829920

IUPAC2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine
SMILESCCNc1nc(NC(C)CC(C)CC)c2ccccc2n1
InChIInChI=1S/C17H26N4/c1-5-12(3)11-13(4)19-16-14-9-7-8-10-15(14)20-17(21-16)18-6-2/h7-10,12-13H,5-6,11H2,1-4H3,(H2,18,19,20,21)
InChIKeyFYTFYYMSVQZJPW-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.30
Rot. Bonds7

About 2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine

2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine (PubChem CID 80829920) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine
PubChem CID80829920
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine
SMILESCCNc1nc(NC(C)CC(C)CC)c2ccccc2n1
InChIInChI=1S/C17H26N4/c1-5-12(3)11-13(4)19-16-14-9-7-8-10-15(14)20-17(21-16)18-6-2/h7-10,12-13H,5-6,11H2,1-4H3,(H2,18,19,20,21)
InChIKeyFYTFYYMSVQZJPW-UHFFFAOYSA-N
XLogP4.30
TPSA49.84 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 ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine (CID 80829920) is 2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine is CCNc1nc(NC(C)CC(C)CC)c2ccccc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine?
The InChIKey is FYTFYYMSVQZJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-5-12(3)11-13(4)19-16-14-9-7-8-10-15(14)20-17(21-16)18-6-2/h7-10,12-13H,5-6,11H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine?
2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine has a molecular weight of 286.42 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 80829920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).