N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine

C20H24BrN5Si — CID 178089518

IUPACN-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine
SMILESC[Si]1(C)CCN(c2nc(NCc3ccc(Br)nc3)nc3ccccc23)CC1
InChIInChI=1S/C20H24BrN5Si/c1-27(2)11-9-26(10-12-27)19-16-5-3-4-6-17(16)24-20(25-19)23-14-15-7-8-18(21)22-13-15/h3-8,13H,9-12,14H2,1-2H3,(H,23,24,25)
InChIKeyNZYLKHROAKLNOS-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.93
Rot. Bonds4

About N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine

N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine (PubChem CID 178089518) has the molecular formula C20H24BrN5Si and a molecular weight of 442.44 g/mol. Its IUPAC name is N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine
PubChem CID178089518
Molecular FormulaC20H24BrN5Si
Molecular Weight442.44 g/mol
Exact Mass441.10
IUPAC NameN-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine
SMILESC[Si]1(C)CCN(c2nc(NCc3ccc(Br)nc3)nc3ccccc23)CC1
InChIInChI=1S/C20H24BrN5Si/c1-27(2)11-9-26(10-12-27)19-16-5-3-4-6-17(16)24-20(25-19)23-14-15-7-8-18(21)22-13-15/h3-8,13H,9-12,14H2,1-2H3,(H,23,24,25)
InChIKeyNZYLKHROAKLNOS-UHFFFAOYSA-N
XLogP4.93
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine with MolForge

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Related Compounds

ethane;N-[(6-fluoro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)azetidin-1-yl]quinazolin-2-amine
CID 178089561
N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine
CID 80772402
N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine
CID 66903519
3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol
CID 50947927
4-(azepan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66903021
4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66902985
N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine
CID 80767148
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 67719898
4-(3,4-dimethylpyrrolidin-1-yl)-N-methylquinazolin-2-amine
CID 80848720
2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 66903579
N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine
CID 80807269
4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine
CID 80853083

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine?
The IUPAC name of N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine (CID 178089518) is N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine.
What is the SMILES notation for N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine?
The canonical SMILES for N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine is C[Si]1(C)CCN(c2nc(NCc3ccc(Br)nc3)nc3ccccc23)CC1.
What is the InChIKey of N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine?
The InChIKey is NZYLKHROAKLNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5Si/c1-27(2)11-9-26(10-12-27)19-16-5-3-4-6-17(16)24-20(25-19)23-14-15-7-8-18(21)22-13-15/h3-8,13H,9-12,14H2,1-2H3,(H,23,24,25).
What are the key properties of N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine?
N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine has a molecular weight of 442.44 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-3-pyridinyl)methyl]-4-(4,4-dimethyl-1,4-azasilinan-1-yl)quinazolin-2-amine is sourced from PubChem (CID 178089518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).