N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine

C14H20ClN3 — CID 80951871

IUPACN-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NC2CC3CCC2C3)n1
InChIInChI=1S/C14H20ClN3/c1-8(2)14-17-12(15)7-13(18-14)16-11-6-9-3-4-10(11)5-9/h7-11H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyLGOADLXXIYZDAT-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.85
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine

N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80951871) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
PubChem CID80951871
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NC2CC3CCC2C3)n1
InChIInChI=1S/C14H20ClN3/c1-8(2)14-17-12(15)7-13(18-14)16-11-6-9-3-4-10(11)5-9/h7-11H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyLGOADLXXIYZDAT-UHFFFAOYSA-N
XLogP3.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine (CID 80951871) is N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cl)cc(NC2CC3CCC2C3)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is LGOADLXXIYZDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-8(2)14-17-12(15)7-13(18-14)16-11-6-9-3-4-10(11)5-9/h7-11H,3-6H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine?
N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 265.79 g/mol, XLogP of 3.85, 3 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)-6-chloro-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80951871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).