2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine

C14H18BrN3 — CID 113383603

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine
SMILESNc1nc(C2CC3CCC2C3)nc(C2CC2)c1Br
InChIInChI=1S/C14H18BrN3/c15-11-12(8-3-4-8)17-14(18-13(11)16)10-6-7-1-2-9(10)5-7/h7-10H,1-6H2,(H2,16,17,18)
InChIKeyIDGFUWYGPMBHPF-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.60
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine

2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine (PubChem CID 113383603) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine
PubChem CID113383603
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine
SMILESNc1nc(C2CC3CCC2C3)nc(C2CC2)c1Br
InChIInChI=1S/C14H18BrN3/c15-11-12(8-3-4-8)17-14(18-13(11)16)10-6-7-1-2-9(10)5-7/h7-10H,1-6H2,(H2,16,17,18)
InChIKeyIDGFUWYGPMBHPF-UHFFFAOYSA-N
XLogP3.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine
CID 113383404
2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739672
5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine
CID 79556616
5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine
CID 66303147
5-bromo-6-cyclopropyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine
CID 66304188
4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80984656
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 113383589
2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine
CID 114207297
5-bromo-6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-amine
CID 79664312
2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol
CID 19417947
5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847082
5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66303343

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine (CID 113383603) is 2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine is Nc1nc(C2CC3CCC2C3)nc(C2CC2)c1Br.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine?
The InChIKey is IDGFUWYGPMBHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c15-11-12(8-3-4-8)17-14(18-13(11)16)10-6-7-1-2-9(10)5-7/h7-10H,1-6H2,(H2,16,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine?
2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine has a molecular weight of 308.22 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 113383603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).