4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine

C15H24N6 — CID 68543502

IUPAC4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CC3CCC2C3)cc(N2CCNCC2)n1
InChIInChI=1S/C15H24N6/c16-15-19-13(18-12-8-10-1-2-11(12)7-10)9-14(20-15)21-5-3-17-4-6-21/h9-12,17H,1-8H2,(H3,16,18,19,20)
InChIKeyPMAPRTXVIZHMMQ-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.07
Rot. Bonds3

About 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine

4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine (PubChem CID 68543502) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine
PubChem CID68543502
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CC3CCC2C3)cc(N2CCNCC2)n1
InChIInChI=1S/C15H24N6/c16-15-19-13(18-12-8-10-1-2-11(12)7-10)9-14(20-15)21-5-3-17-4-6-21/h9-12,17H,1-8H2,(H3,16,18,19,20)
InChIKeyPMAPRTXVIZHMMQ-UHFFFAOYSA-N
XLogP1.07
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine (CID 68543502) is 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine is Nc1nc(NC2CC3CCC2C3)cc(N2CCNCC2)n1.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine?
The InChIKey is PMAPRTXVIZHMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c16-15-19-13(18-12-8-10-1-2-11(12)7-10)9-14(20-15)21-5-3-17-4-6-21/h9-12,17H,1-8H2,(H3,16,18,19,20).
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine?
4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine has a molecular weight of 288.40 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 68543502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).