5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine

C14H19BrClN3 — CID 114071750

IUPAC5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine
SMILESCC12CCC(C1)C(C)(C)C2Nc1ncnc(Cl)c1Br
InChIInChI=1S/C14H19BrClN3/c1-13(2)8-4-5-14(3,6-8)12(13)19-11-9(15)10(16)17-7-18-11/h7-8,12H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyAZMWEOLKTZMWSE-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.52
Rot. Bonds2

About 5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine

5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine (PubChem CID 114071750) has the molecular formula C14H19BrClN3 and a molecular weight of 344.68 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine
PubChem CID114071750
Molecular FormulaC14H19BrClN3
Molecular Weight344.68 g/mol
Exact Mass343.05
IUPAC Name5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine
SMILESCC12CCC(C1)C(C)(C)C2Nc1ncnc(Cl)c1Br
InChIInChI=1S/C14H19BrClN3/c1-13(2)8-4-5-14(3,6-8)12(13)19-11-9(15)10(16)17-7-18-11/h7-8,12H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyAZMWEOLKTZMWSE-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine (CID 114071750) is 5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine is CC12CCC(C1)C(C)(C)C2Nc1ncnc(Cl)c1Br.
What is the InChIKey of 5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine?
The InChIKey is AZMWEOLKTZMWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3/c1-13(2)8-4-5-14(3,6-8)12(13)19-11-9(15)10(16)17-7-18-11/h7-8,12H,4-6H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine?
5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine has a molecular weight of 344.68 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine is sourced from PubChem (CID 114071750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).