N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine

C11H14BrN3 — CID 66340376

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine
SMILESBrc1cncnc1NC1CC2CCC1C2
InChIInChI=1S/C11H14BrN3/c12-9-5-13-6-14-11(9)15-10-4-7-1-2-8(10)3-7/h5-8,10H,1-4H2,(H,13,14,15)
InChIKeyPSYXYBTWZAPCRZ-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.84
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine

N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine (PubChem CID 66340376) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine
PubChem CID66340376
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine
SMILESBrc1cncnc1NC1CC2CCC1C2
InChIInChI=1S/C11H14BrN3/c12-9-5-13-6-14-11(9)15-10-4-7-1-2-8(10)3-7/h5-8,10H,1-4H2,(H,13,14,15)
InChIKeyPSYXYBTWZAPCRZ-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine
CID 80917302
5-bromo-N-(2-methylthiolan-3-yl)pyrimidin-4-amine
CID 130710649
4-(2-bicyclo[2.2.1]heptanylamino)-6-chloropyrimidine-5-carbaldehyde
CID 66369017
N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine
CID 130934708
5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
CID 66339947
5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine
CID 127002096
N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 79075583
N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methyl-5-nitropyridin-2-amine
CID 104508020
N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine
CID 102751237
N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-1,3-thiazol-2-amine
CID 131209075
4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one
CID 136975932
N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine
CID 79839141

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine (CID 66340376) is N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine is Brc1cncnc1NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine?
The InChIKey is PSYXYBTWZAPCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c12-9-5-13-6-14-11(9)15-10-4-7-1-2-8(10)3-7/h5-8,10H,1-4H2,(H,13,14,15).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine?
N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine has a molecular weight of 268.16 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine is sourced from PubChem (CID 66340376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).