2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine

C16H22N4O — CID 80776538

IUPAC2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
SMILESCCNc1nc(NC(C)C2CCCO2)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-3-17-16-19-13-8-5-4-7-12(13)15(20-16)18-11(2)14-9-6-10-21-14/h4-5,7-8,11,14H,3,6,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyDROGBUMXAVWISN-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.04
Rot. Bonds5

About 2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine

2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine (PubChem CID 80776538) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
PubChem CID80776538
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
SMILESCCNc1nc(NC(C)C2CCCO2)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-3-17-16-19-13-8-5-4-7-12(13)15(20-16)18-11(2)14-9-6-10-21-14/h4-5,7-8,11,14H,3,6,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyDROGBUMXAVWISN-UHFFFAOYSA-N
XLogP3.04
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine (CID 80776538) is 2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine is CCNc1nc(NC(C)C2CCCO2)c2ccccc2n1.
What is the InChIKey of 2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine?
The InChIKey is DROGBUMXAVWISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-17-16-19-13-8-5-4-7-12(13)15(20-16)18-11(2)14-9-6-10-21-14/h4-5,7-8,11,14H,3,6,9-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine?
2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 80776538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).