3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol

C14H20N4O — CID 65336318

IUPAC3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ncnc2cc(N)ccc12
InChIInChI=1S/C14H20N4O/c1-3-14(19,4-2)8-16-13-11-6-5-10(15)7-12(11)17-9-18-13/h5-7,9,19H,3-4,8,15H2,1-2H3,(H,16,17,18)
InChIKeyGYFNPMGNTJDAGK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.17
Rot. Bonds5

About 3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol

3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol (PubChem CID 65336318) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol
PubChem CID65336318
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ncnc2cc(N)ccc12
InChIInChI=1S/C14H20N4O/c1-3-14(19,4-2)8-16-13-11-6-5-10(15)7-12(11)17-9-18-13/h5-7,9,19H,3-4,8,15H2,1-2H3,(H,16,17,18)
InChIKeyGYFNPMGNTJDAGK-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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

2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251267
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-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine
CID 79353456
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine
CID 113494450
4-N-(2-ethoxypropyl)quinazoline-4,7-diamine
CID 113476962
3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80842506
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine
CID 65336916

Frequently Asked Questions

What is the IUPAC name of 3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol (CID 65336318) is 3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1ncnc2cc(N)ccc12.
What is the InChIKey of 3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol?
The InChIKey is GYFNPMGNTJDAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-14(19,4-2)8-16-13-11-6-5-10(15)7-12(11)17-9-18-13/h5-7,9,19H,3-4,8,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol?
3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol has a molecular weight of 260.34 g/mol, XLogP of 2.17, 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]methyl]pentan-3-ol is sourced from PubChem (CID 65336318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).