1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol

C14H20N4O — CID 71470317

IUPAC1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol
SMILESCCCCNc1nc(N)nc2ccc(C(C)O)cc12
InChIInChI=1S/C14H20N4O/c1-3-4-7-16-13-11-8-10(9(2)19)5-6-12(11)17-14(15)18-13/h5-6,8-9,19H,3-4,7H2,1-2H3,(H3,15,16,17,18)
InChIKeyZMAYIBXMDDJLIC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.48
Rot. Bonds5

About 1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol

1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol (PubChem CID 71470317) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol.

Molecular Properties

Compound Name1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol
PubChem CID71470317
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol
SMILESCCCCNc1nc(N)nc2ccc(C(C)O)cc12
InChIInChI=1S/C14H20N4O/c1-3-4-7-16-13-11-8-10(9(2)19)5-6-12(11)17-14(15)18-13/h5-6,8-9,19H,3-4,7H2,1-2H3,(H3,15,16,17,18)
InChIKeyZMAYIBXMDDJLIC-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol?
The IUPAC name of 1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol (CID 71470317) is 1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol.
What is the SMILES notation for 1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol?
The canonical SMILES for 1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol is CCCCNc1nc(N)nc2ccc(C(C)O)cc12.
What is the InChIKey of 1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol?
The InChIKey is ZMAYIBXMDDJLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-4-7-16-13-11-8-10(9(2)19)5-6-12(11)17-14(15)18-13/h5-6,8-9,19H,3-4,7H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol?
1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol has a molecular weight of 260.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(butylamino)quinazolin-6-yl]ethanol is sourced from PubChem (CID 71470317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).