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

C13H18N4O — CID 71041868

IUPAC[2-amino-4-(butylamino)quinazolin-6-yl]methanol
SMILESCCCCNc1nc(N)nc2ccc(CO)cc12
InChIInChI=1S/C13H18N4O/c1-2-3-6-15-12-10-7-9(8-18)4-5-11(10)16-13(14)17-12/h4-5,7,18H,2-3,6,8H2,1H3,(H3,14,15,16,17)
InChIKeySUXTZYYMESLBME-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.92
Rot. Bonds5

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

[2-amino-4-(butylamino)quinazolin-6-yl]methanol (PubChem CID 71041868) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [2-amino-4-(butylamino)quinazolin-6-yl]methanol.

Molecular Properties

Compound Name[2-amino-4-(butylamino)quinazolin-6-yl]methanol
PubChem CID71041868
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[2-amino-4-(butylamino)quinazolin-6-yl]methanol
SMILESCCCCNc1nc(N)nc2ccc(CO)cc12
InChIInChI=1S/C13H18N4O/c1-2-3-6-15-12-10-7-9(8-18)4-5-11(10)16-13(14)17-12/h4-5,7,18H,2-3,6,8H2,1H3,(H3,14,15,16,17)
InChIKeySUXTZYYMESLBME-UHFFFAOYSA-N
XLogP1.92
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.92
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 [2-amino-4-(butylamino)quinazolin-6-yl]methanol?
The IUPAC name of [2-amino-4-(butylamino)quinazolin-6-yl]methanol (CID 71041868) is [2-amino-4-(butylamino)quinazolin-6-yl]methanol.
What is the SMILES notation for [2-amino-4-(butylamino)quinazolin-6-yl]methanol?
The canonical SMILES for [2-amino-4-(butylamino)quinazolin-6-yl]methanol is CCCCNc1nc(N)nc2ccc(CO)cc12.
What is the InChIKey of [2-amino-4-(butylamino)quinazolin-6-yl]methanol?
The InChIKey is SUXTZYYMESLBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-3-6-15-12-10-7-9(8-18)4-5-11(10)16-13(14)17-12/h4-5,7,18H,2-3,6,8H2,1H3,(H3,14,15,16,17).
What are the key properties of [2-amino-4-(butylamino)quinazolin-6-yl]methanol?
[2-amino-4-(butylamino)quinazolin-6-yl]methanol has a molecular weight of 246.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(butylamino)quinazolin-6-yl]methanol is sourced from PubChem (CID 71041868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).