4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol

C14H18N4O — CID 64587470

IUPAC4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
SMILESNc1ccc2ncnc(NC3CCC(O)CC3)c2c1
InChIInChI=1S/C14H18N4O/c15-9-1-6-13-12(7-9)14(17-8-16-13)18-10-2-4-11(19)5-3-10/h1,6-8,10-11,19H,2-5,15H2,(H,16,17,18)
InChIKeySPASMPSKSSUPBI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.93
Rot. Bonds2

About 4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol

4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol (PubChem CID 64587470) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
PubChem CID64587470
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
SMILESNc1ccc2ncnc(NC3CCC(O)CC3)c2c1
InChIInChI=1S/C14H18N4O/c15-9-1-6-13-12(7-9)14(17-8-16-13)18-10-2-4-11(19)5-3-10/h1,6-8,10-11,19H,2-5,15H2,(H,16,17,18)
InChIKeySPASMPSKSSUPBI-UHFFFAOYSA-N
XLogP1.93
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol (CID 64587470) is 4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol is Nc1ccc2ncnc(NC3CCC(O)CC3)c2c1.
What is the InChIKey of 4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is SPASMPSKSSUPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-9-1-6-13-12(7-9)14(17-8-16-13)18-10-2-4-11(19)5-3-10/h1,6-8,10-11,19H,2-5,15H2,(H,16,17,18).
What are the key properties of 4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol?
4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 258.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 64587470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).