N-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine

C15H23N5 — CID 58227114

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine
SMILESc1cc(N2CCNCC2)nc(NC2CC3CCC2C3)n1
InChIInChI=1S/C15H23N5/c1-2-12-9-11(1)10-13(12)18-15-17-4-3-14(19-15)20-7-5-16-6-8-20/h3-4,11-13,16H,1-2,5-10H2,(H,17,18,19)
InChIKeyLMGMAZHTWLCFFM-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.49
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine (PubChem CID 58227114) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine
PubChem CID58227114
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine
SMILESc1cc(N2CCNCC2)nc(NC2CC3CCC2C3)n1
InChIInChI=1S/C15H23N5/c1-2-12-9-11(1)10-13(12)18-15-17-4-3-14(19-15)20-7-5-16-6-8-20/h3-4,11-13,16H,1-2,5-10H2,(H,17,18,19)
InChIKeyLMGMAZHTWLCFFM-UHFFFAOYSA-N
XLogP1.49
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine (CID 58227114) is N-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine is c1cc(N2CCNCC2)nc(NC2CC3CCC2C3)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is LMGMAZHTWLCFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-2-12-9-11(1)10-13(12)18-15-17-4-3-14(19-15)20-7-5-16-6-8-20/h3-4,11-13,16H,1-2,5-10H2,(H,17,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 58227114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).