N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine

C14H20ClN3 — CID 56684864

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C14H20ClN3/c1-8(12-6-10-3-4-11(12)5-10)16-14-7-13(15)17-9(2)18-14/h7-8,10-12H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyDMUAXOHXOBUXAQ-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.68
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine (PubChem CID 56684864) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine
PubChem CID56684864
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C14H20ClN3/c1-8(12-6-10-3-4-11(12)5-10)16-14-7-13(15)17-9(2)18-14/h7-8,10-12H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyDMUAXOHXOBUXAQ-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine (CID 56684864) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(NC(C)C2CC3CCC2C3)n1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine?
The InChIKey is DMUAXOHXOBUXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-8(12-6-10-3-4-11(12)5-10)16-14-7-13(15)17-9(2)18-14/h7-8,10-12H,3-6H2,1-2H3,(H,16,17,18).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine has a molecular weight of 265.79 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine is sourced from PubChem (CID 56684864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).