N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine

C27H35N5 — CID 142229280

IUPACN,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine
SMILESCN(C)c1nc(CCCC2CCC3(CC2)CC3NCc2ccccn2)nc2ccccc12
InChIInChI=1S/C27H35N5/c1-32(2)26-22-10-3-4-11-23(22)30-25(31-26)12-7-8-20-13-15-27(16-14-20)18-24(27)29-19-21-9-5-6-17-28-21/h3-6,9-11,17,20,24,29H,7-8,12-16,18-19H2,1-2H3
InChIKeyXRCCWOBETUPNJQ-UHFFFAOYSA-N
MW429.61 g/mol
LogP5.15
Rot. Bonds8

About N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine

N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine (PubChem CID 142229280) has the molecular formula C27H35N5 and a molecular weight of 429.61 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine
PubChem CID142229280
Molecular FormulaC27H35N5
Molecular Weight429.61 g/mol
Exact Mass429.29
IUPAC NameN,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine
SMILESCN(C)c1nc(CCCC2CCC3(CC2)CC3NCc2ccccn2)nc2ccccc12
InChIInChI=1S/C27H35N5/c1-32(2)26-22-10-3-4-11-23(22)30-25(31-26)12-7-8-20-13-15-27(16-14-20)18-24(27)29-19-21-9-5-6-17-28-21/h3-6,9-11,17,20,24,29H,7-8,12-16,18-19H2,1-2H3
InChIKeyXRCCWOBETUPNJQ-UHFFFAOYSA-N
XLogP5.15
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142228277
2-[3-[2-[3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]spiro[2.5]octan-6-yl]propyl]-N,N-dimethylquinazolin-4-amine
CID 142231356
N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 162599108
2-N-[[(2R)-2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methylamino]spiro[2.5]octan-6-yl]methyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 163781570
N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine
CID 142229578
N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142231140
2-[3-[4-[4-(6-fluoro-3a,7a-dihydro-1H-indol-3-yl)butyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine
CID 142230693
N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]-5-thiophen-2-ylpentanamide
CID 142229217
1-[2-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]cyclopropyl]-2-(2-iodophenyl)ethanone
CID 142229933
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]propanamide
CID 142229339
1-[2-[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]cyclobutyl]-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 142229958
2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde
CID 87350562

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine (CID 142229280) is N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine is CN(C)c1nc(CCCC2CCC3(CC2)CC3NCc2ccccn2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine?
The InChIKey is XRCCWOBETUPNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5/c1-32(2)26-22-10-3-4-11-23(22)30-25(31-26)12-7-8-20-13-15-27(16-14-20)18-24(27)29-19-21-9-5-6-17-28-21/h3-6,9-11,17,20,24,29H,7-8,12-16,18-19H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine?
N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine has a molecular weight of 429.61 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine is sourced from PubChem (CID 142229280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).