2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol

C15H22N4O — CID 106251267

IUPAC2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1ncnc2cc(N)ccc12
InChIInChI=1S/C15H22N4O/c1-3-15(4-2,9-20)8-17-14-12-6-5-11(16)7-13(12)18-10-19-14/h5-7,10,20H,3-4,8-9,16H2,1-2H3,(H,17,18,19)
InChIKeyATVWQKMUVNSJTO-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.42
Rot. Bonds6

About 2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol

2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106251267) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106251267
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1ncnc2cc(N)ccc12
InChIInChI=1S/C15H22N4O/c1-3-15(4-2,9-20)8-17-14-12-6-5-11(16)7-13(12)18-10-19-14/h5-7,10,20H,3-4,8-9,16H2,1-2H3,(H,17,18,19)
InChIKeyATVWQKMUVNSJTO-UHFFFAOYSA-N
XLogP2.42
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol
CID 65336318
3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275127
4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine
CID 104758827
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
4-N-(2-ethylhexyl)quinazoline-4,7-diamine
CID 107819800
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine
CID 79353456
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol
CID 106348202
4-N-(2-ethoxypropyl)quinazoline-4,7-diamine
CID 113476962
4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine
CID 113494450
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872

Frequently Asked Questions

What is the IUPAC name of 2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol (CID 106251267) is 2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1ncnc2cc(N)ccc12.
What is the InChIKey of 2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is ATVWQKMUVNSJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-15(4-2,9-20)8-17-14-12-6-5-11(16)7-13(12)18-10-19-14/h5-7,10,20H,3-4,8-9,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 274.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106251267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).