2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine

C14H18N4O — CID 80853828

IUPAC2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine
SMILESCCNc1nc(NC2CCOC2)c2ccccc2n1
InChIInChI=1S/C14H18N4O/c1-2-15-14-17-12-6-4-3-5-11(12)13(18-14)16-10-7-8-19-9-10/h3-6,10H,2,7-9H2,1H3,(H2,15,16,17,18)
InChIKeyKFSRNKGVIWUFQX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.26
Rot. Bonds4

About 2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine

2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine (PubChem CID 80853828) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine
PubChem CID80853828
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine
SMILESCCNc1nc(NC2CCOC2)c2ccccc2n1
InChIInChI=1S/C14H18N4O/c1-2-15-14-17-12-6-4-3-5-11(12)13(18-14)16-10-7-8-19-9-10/h3-6,10H,2,7-9H2,1H3,(H2,15,16,17,18)
InChIKeyKFSRNKGVIWUFQX-UHFFFAOYSA-N
XLogP2.26
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
CID 80769963
2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine
CID 80829880
5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one
CID 80816791
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one
CID 106198405
2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 80853565
3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine
CID 133438561
2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80776538
3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid
CID 167830102
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223
2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 80830256
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine (CID 80853828) is 2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine is CCNc1nc(NC2CCOC2)c2ccccc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine?
The InChIKey is KFSRNKGVIWUFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-15-14-17-12-6-4-3-5-11(12)13(18-14)16-10-7-8-19-9-10/h3-6,10H,2,7-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine?
2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.26, 4 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-(oxolan-3-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 80853828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).