N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine

C11H16N4O — CID 174707618

IUPACN-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine
SMILESCC1(C)Cc2nc(N)ncc2C(C=NO)C1
InChIInChI=1S/C11H16N4O/c1-11(2)3-7(5-14-16)8-6-13-10(12)15-9(8)4-11/h5-7,16H,3-4H2,1-2H3,(H2,12,13,15)
InChIKeyRBPKCFMVCXCZFC-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.57
Rot. Bonds1

About N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine

N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine (PubChem CID 174707618) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine
PubChem CID174707618
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine
SMILESCC1(C)Cc2nc(N)ncc2C(C=NO)C1
InChIInChI=1S/C11H16N4O/c1-11(2)3-7(5-14-16)8-6-13-10(12)15-9(8)4-11/h5-7,16H,3-4H2,1-2H3,(H2,12,13,15)
InChIKeyRBPKCFMVCXCZFC-UHFFFAOYSA-N
XLogP1.57
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine
CID 174596625
N-[[2-amino-7-(2-pyridin-4-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine
CID 174596727
2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 64985551
7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 174596613
7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 174611924
2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 106815188
2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 62008482
2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 64985716
2-(methoxymethyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 62009698
7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine
CID 55242606
2-N,2-N-diethyl-7,7-dimethyl-5-N-propyl-6,8-dihydro-5H-quinazoline-2,5-diamine
CID 62010103
methyl 2-amino-7,7-dimethyl-5-oxo-6,8-dihydroquinazoline-6-carboxylate
CID 66489404

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine (CID 174707618) is N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine is CC1(C)Cc2nc(N)ncc2C(C=NO)C1.
What is the InChIKey of N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine?
The InChIKey is RBPKCFMVCXCZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-11(2)3-7(5-14-16)8-6-13-10(12)15-9(8)4-11/h5-7,16H,3-4H2,1-2H3,(H2,12,13,15).
What are the key properties of N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine?
N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine has a molecular weight of 220.28 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 174707618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).