2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

C21H31N3O2 — CID 45251389

IUPAC2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCOCc1ccc(CNC2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)o1
InChIInChI=1S/C21H31N3O2/c1-20(2,3)19-23-12-16-17(9-21(4,5)10-18(16)24-19)22-11-14-7-8-15(26-14)13-25-6/h7-8,12,17,22H,9-11,13H2,1-6H3
InChIKeyQYTPOCUKBYANNG-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.32
Rot. Bonds5

About 2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 45251389) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID45251389
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCOCc1ccc(CNC2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)o1
InChIInChI=1S/C21H31N3O2/c1-20(2,3)19-23-12-16-17(9-21(4,5)10-18(16)24-19)22-11-14-7-8-15(26-14)13-25-6/h7-8,12,17,22H,9-11,13H2,1-6H3
InChIKeyQYTPOCUKBYANNG-UHFFFAOYSA-N
XLogP4.32
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 45251389) is 2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is COCc1ccc(CNC2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)o1.
What is the InChIKey of 2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is QYTPOCUKBYANNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-20(2,3)19-23-12-16-17(9-21(4,5)10-18(16)24-19)22-11-14-7-8-15(26-14)13-25-6/h7-8,12,17,22H,9-11,13H2,1-6H3.
What are the key properties of 2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 357.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 45251389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).