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

C14H18N4O — CID 80780771

IUPAC4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
SMILESCC(Nc1nc(N)nc2ccccc12)C1CCCO1
InChIInChI=1S/C14H18N4O/c1-9(12-7-4-8-19-12)16-13-10-5-2-3-6-11(10)17-14(15)18-13/h2-3,5-6,9,12H,4,7-8H2,1H3,(H3,15,16,17,18)
InChIKeyGBUJINTVFJJBSO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.19
Rot. Bonds3

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

4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine (PubChem CID 80780771) 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-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
PubChem CID80780771
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
SMILESCC(Nc1nc(N)nc2ccccc12)C1CCCO1
InChIInChI=1S/C14H18N4O/c1-9(12-7-4-8-19-12)16-13-10-5-2-3-6-11(10)17-14(15)18-13/h2-3,5-6,9,12H,4,7-8H2,1H3,(H3,15,16,17,18)
InChIKeyGBUJINTVFJJBSO-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

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Related Compounds

2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80776538
N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine
CID 42950794
2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one
CID 136747997
4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine
CID 65337393
methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate
CID 114405472
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine
CID 80786097
4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine
CID 80776922
6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80780773
4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine
CID 80784422
3,4-difluoro-2-N-[1-(oxolan-2-yl)ethyl]benzene-1,2-diamine
CID 55086070
4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine
CID 83027690

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine (CID 80780771) is 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine is CC(Nc1nc(N)nc2ccccc12)C1CCCO1.
What is the InChIKey of 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine?
The InChIKey is GBUJINTVFJJBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(12-7-4-8-19-12)16-13-10-5-2-3-6-11(10)17-14(15)18-13/h2-3,5-6,9,12H,4,7-8H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine?
4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-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-2,4-diamine is sourced from PubChem (CID 80780771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).