4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine

C14H18N4O — CID 65337393

IUPAC4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine
SMILESCC(Nc1ncnc2cc(N)ccc12)C1CCCO1
InChIInChI=1S/C14H18N4O/c1-9(13-3-2-6-19-13)18-14-11-5-4-10(15)7-12(11)16-8-17-14/h4-5,7-9,13H,2-3,6,15H2,1H3,(H,16,17,18)
InChIKeyAXTDVIKQDYPGGA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.19
Rot. Bonds3

About 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine

4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine (PubChem CID 65337393) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine
PubChem CID65337393
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine
SMILESCC(Nc1ncnc2cc(N)ccc12)C1CCCO1
InChIInChI=1S/C14H18N4O/c1-9(13-3-2-6-19-13)18-14-11-5-4-10(15)7-12(11)16-8-17-14/h4-5,7-9,13H,2-3,6,15H2,1H3,(H,16,17,18)
InChIKeyAXTDVIKQDYPGGA-UHFFFAOYSA-N
XLogP2.19
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine
CID 65337115
4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80780771
4-N-[1-(oxolan-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750412
5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80781177
5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile
CID 54860605
4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine
CID 65337213
4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine
CID 65336893
4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine
CID 106217108
3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol
CID 106348202
5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 79717768
2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80776538
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine?
The IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine (CID 65337393) is 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine?
The canonical SMILES for 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine is CC(Nc1ncnc2cc(N)ccc12)C1CCCO1.
What is the InChIKey of 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine?
The InChIKey is AXTDVIKQDYPGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(13-3-2-6-19-13)18-14-11-5-4-10(15)7-12(11)16-8-17-14/h4-5,7-9,13H,2-3,6,15H2,1H3,(H,16,17,18).
What are the key properties of 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine?
4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine is sourced from PubChem (CID 65337393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).