1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine

C15H19BrN4 — CID 172905670

IUPAC1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2ncc3cc(Br)ccc3n2)CC1
InChIInChI=1S/C15H19BrN4/c1-19(2)13-5-7-20(8-6-13)15-17-10-11-9-12(16)3-4-14(11)18-15/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyITWLSUQKEAHDCZ-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.92
Rot. Bonds2

About 1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine

1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 172905670) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID172905670
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2ncc3cc(Br)ccc3n2)CC1
InChIInChI=1S/C15H19BrN4/c1-19(2)13-5-7-20(8-6-13)15-17-10-11-9-12(16)3-4-14(11)18-15/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyITWLSUQKEAHDCZ-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-piperidin-1-ylquinazoline
CID 165497693
1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide
CID 171691467
N-[1-(6-bromoquinazolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882008
5-bromo-2-[4-(dimethylamino)piperidin-1-yl]benzaldehyde
CID 71652027
6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
CID 165435723
1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide
CID 155800437
4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine
CID 170707996
6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline
CID 171705386
6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
CID 166605676
1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine
CID 68506217
(1S,5R)-6-(6-bromoquinazolin-2-yl)-3-oxa-6-azabicyclo[3.1.1]heptane
CID 170940728
1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid
CID 57407163

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine (CID 172905670) is 1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2ncc3cc(Br)ccc3n2)CC1.
What is the InChIKey of 1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is ITWLSUQKEAHDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-19(2)13-5-7-20(8-6-13)15-17-10-11-9-12(16)3-4-14(11)18-15/h3-4,9-10,13H,5-8H2,1-2H3.
What are the key properties of 1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine?
1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 335.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 172905670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).