1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide

C18H28N4O — CID 72906674

IUPAC1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide
SMILESCC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)C2(N)CC2)C1
InChIInChI=1S/C18H28N4O/c1-16(2,3)14-20-10-11-12(21-14)8-17(4,5)9-13(11)22-15(23)18(19)6-7-18/h10,13H,6-9,19H2,1-5H3,(H,22,23)
InChIKeyVLCAWZVFFYCFHT-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.40
Rot. Bonds2

About 1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide

1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide (PubChem CID 72906674) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide
PubChem CID72906674
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide
SMILESCC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)C2(N)CC2)C1
InChIInChI=1S/C18H28N4O/c1-16(2,3)14-20-10-11-12(21-14)8-17(4,5)9-13(11)22-15(23)18(19)6-7-18/h10,13H,6-9,19H2,1-5H3,(H,22,23)
InChIKeyVLCAWZVFFYCFHT-UHFFFAOYSA-N
XLogP2.40
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide (CID 72906674) is 1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide is CC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)C2(N)CC2)C1.
What is the InChIKey of 1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide?
The InChIKey is VLCAWZVFFYCFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-16(2,3)14-20-10-11-12(21-14)8-17(4,5)9-13(11)22-15(23)18(19)6-7-18/h10,13H,6-9,19H2,1-5H3,(H,22,23).
What are the key properties of 1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide?
1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 72906674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).