2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol

C21H31N3O2 — CID 68605408

IUPAC2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol
SMILESCC(N)(CO)c1ncc2cc(OC3CCC(C(C)(C)C)CC3)ccc2n1
InChIInChI=1S/C21H31N3O2/c1-20(2,3)15-5-7-16(8-6-15)26-17-9-10-18-14(11-17)12-23-19(24-18)21(4,22)13-25/h9-12,15-16,25H,5-8,13,22H2,1-4H3
InChIKeySTGTXOSHSPOKJC-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.78
Rot. Bonds4

About 2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol

2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol (PubChem CID 68605408) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol
PubChem CID68605408
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol
SMILESCC(N)(CO)c1ncc2cc(OC3CCC(C(C)(C)C)CC3)ccc2n1
InChIInChI=1S/C21H31N3O2/c1-20(2,3)15-5-7-16(8-6-15)26-17-9-10-18-14(11-17)12-23-19(24-18)21(4,22)13-25/h9-12,15-16,25H,5-8,13,22H2,1-4H3
InChIKeySTGTXOSHSPOKJC-UHFFFAOYSA-N
XLogP3.78
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol?
The IUPAC name of 2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol (CID 68605408) is 2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol.
What is the SMILES notation for 2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol?
The canonical SMILES for 2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol is CC(N)(CO)c1ncc2cc(OC3CCC(C(C)(C)C)CC3)ccc2n1.
What is the InChIKey of 2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol?
The InChIKey is STGTXOSHSPOKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-20(2,3)15-5-7-16(8-6-15)26-17-9-10-18-14(11-17)12-23-19(24-18)21(4,22)13-25/h9-12,15-16,25H,5-8,13,22H2,1-4H3.
What are the key properties of 2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol?
2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol has a molecular weight of 357.50 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol is sourced from PubChem (CID 68605408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).