N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine

C21H27BrN4 — CID 118475382

IUPACN-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine
SMILESBrc1ccc2ncnc(NC3CCC(N4CCC5(CC4)CC5)CC3)c2c1
InChIInChI=1S/C21H27BrN4/c22-15-1-6-19-18(13-15)20(24-14-23-19)25-16-2-4-17(5-3-16)26-11-9-21(7-8-21)10-12-26/h1,6,13-14,16-17H,2-5,7-12H2,(H,23,24,25)
InChIKeyQOWWPDBUBSDUEM-UHFFFAOYSA-N
MW415.38 g/mol
LogP4.99
Rot. Bonds3

About N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine

N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine (PubChem CID 118475382) has the molecular formula C21H27BrN4 and a molecular weight of 415.38 g/mol. Its IUPAC name is N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine
PubChem CID118475382
Molecular FormulaC21H27BrN4
Molecular Weight415.38 g/mol
Exact Mass414.14
IUPAC NameN-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine
SMILESBrc1ccc2ncnc(NC3CCC(N4CCC5(CC4)CC5)CC3)c2c1
InChIInChI=1S/C21H27BrN4/c22-15-1-6-19-18(13-15)20(24-14-23-19)25-16-2-4-17(5-3-16)26-11-9-21(7-8-21)10-12-26/h1,6,13-14,16-17H,2-5,7-12H2,(H,23,24,25)
InChIKeyQOWWPDBUBSDUEM-UHFFFAOYSA-N
XLogP4.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine with MolForge

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Related Compounds

N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine
CID 118475354
6-bromo-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine
CID 133381158
4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine
CID 146237654
5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol
CID 121266043
6-ethenyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475339
N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine
CID 121255023
6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399430
6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 130446838
6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475288
2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
CID 118475287
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255036

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine?
The IUPAC name of N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine (CID 118475382) is N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine.
What is the SMILES notation for N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine?
The canonical SMILES for N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine is Brc1ccc2ncnc(NC3CCC(N4CCC5(CC4)CC5)CC3)c2c1.
What is the InChIKey of N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine?
The InChIKey is QOWWPDBUBSDUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN4/c22-15-1-6-19-18(13-15)20(24-14-23-19)25-16-2-4-17(5-3-16)26-11-9-21(7-8-21)10-12-26/h1,6,13-14,16-17H,2-5,7-12H2,(H,23,24,25).
What are the key properties of N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine?
N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine has a molecular weight of 415.38 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine is sourced from PubChem (CID 118475382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).