7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine

C15H23N3O — CID 55242606

IUPAC7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(C3CCCOC3)ncc2C(N)C1
InChIInChI=1S/C15H23N3O/c1-15(2)6-12(16)11-8-17-14(18-13(11)7-15)10-4-3-5-19-9-10/h8,10,12H,3-7,9,16H2,1-2H3
InChIKeyGRJMBFNOUKILMM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.34
Rot. Bonds1

About 7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine

7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 55242606) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID55242606
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(C3CCCOC3)ncc2C(N)C1
InChIInChI=1S/C15H23N3O/c1-15(2)6-12(16)11-8-17-14(18-13(11)7-15)10-4-3-5-19-9-10/h8,10,12H,3-7,9,16H2,1-2H3
InChIKeyGRJMBFNOUKILMM-UHFFFAOYSA-N
XLogP2.34
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine (CID 55242606) is 7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine is CC1(C)Cc2nc(C3CCCOC3)ncc2C(N)C1.
What is the InChIKey of 7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is GRJMBFNOUKILMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)6-12(16)11-8-17-14(18-13(11)7-15)10-4-3-5-19-9-10/h8,10,12H,3-7,9,16H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine?
7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 261.37 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 55242606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).