3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol

C14H20N4O — CID 106348202

IUPAC3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1ncnc2cc(N)ccc12
InChIInChI=1S/C14H20N4O/c1-9(2)12(5-6-19)18-14-11-4-3-10(15)7-13(11)16-8-17-14/h3-4,7-9,12,19H,5-6,15H2,1-2H3,(H,16,17,18)
InChIKeyQWVHYLZECBYIRZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.03
Rot. Bonds5

About 3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol

3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 106348202) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID106348202
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1ncnc2cc(N)ccc12
InChIInChI=1S/C14H20N4O/c1-9(2)12(5-6-19)18-14-11-4-3-10(15)7-13(11)16-8-17-14/h3-4,7-9,12,19H,5-6,15H2,1-2H3,(H,16,17,18)
InChIKeyQWVHYLZECBYIRZ-UHFFFAOYSA-N
XLogP2.03
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.03
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

4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine
CID 64589298
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
3-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358434
2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol
CID 65336697
4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine
CID 114178266
4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine
CID 65337213
2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251267
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106348239
4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine
CID 65337115
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol
CID 106348264
4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine
CID 65337116

Frequently Asked Questions

What is the IUPAC name of 3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol (CID 106348202) is 3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)Nc1ncnc2cc(N)ccc12.
What is the InChIKey of 3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is QWVHYLZECBYIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)12(5-6-19)18-14-11-4-3-10(15)7-13(11)16-8-17-14/h3-4,7-9,12,19H,5-6,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol?
3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106348202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).