1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol

C15H22N4O — CID 107150871

IUPAC1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1ncnc2ccc(N)cc12
InChIInChI=1S/C15H22N4O/c1-15(2,3)7-11(20)8-17-14-12-6-10(16)4-5-13(12)18-9-19-14/h4-6,9,11,20H,7-8,16H2,1-3H3,(H,17,18,19)
InChIKeyOFJDBPSBKJDXPP-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.42
Rot. Bonds4

About 1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol

1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107150871) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107150871
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1ncnc2ccc(N)cc12
InChIInChI=1S/C15H22N4O/c1-15(2,3)7-11(20)8-17-14-12-6-10(16)4-5-13(12)18-9-19-14/h4-6,9,11,20H,7-8,16H2,1-3H3,(H,17,18,19)
InChIKeyOFJDBPSBKJDXPP-UHFFFAOYSA-N
XLogP2.42
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide
CID 114152808
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
CID 64587683
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159476
2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107864539
4-[(6-aminoquinazolin-4-yl)amino]butanamide
CID 64589483
(2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol
CID 95771271
4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine
CID 64588281
1-(3-aminoanilino)-4,4-dimethylpentan-2-ol
CID 107150901
1-(isoquinolin-1-ylamino)-4,4-dimethylpentan-2-ol
CID 107153199
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159522

Frequently Asked Questions

What is the IUPAC name of 1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol (CID 107150871) is 1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNc1ncnc2ccc(N)cc12.
What is the InChIKey of 1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is OFJDBPSBKJDXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,3)7-11(20)8-17-14-12-6-10(16)4-5-13(12)18-9-19-14/h4-6,9,11,20H,7-8,16H2,1-3H3,(H,17,18,19).
What are the key properties of 1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol?
1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 274.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107150871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).