4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

C15H23FN4 — CID 80786315

IUPAC4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C15H23FN4/c1-3-17-15-18-8-13(16)14(20-15)19-9(2)12-7-10-4-5-11(12)6-10/h8-12H,3-7H2,1-2H3,(H2,17,18,19,20)
InChIKeyBLPVCOIGKXMRCU-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.28
Rot. Bonds5

About 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (PubChem CID 80786315) has the molecular formula C15H23FN4 and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
PubChem CID80786315
Molecular FormulaC15H23FN4
Molecular Weight278.38 g/mol
Exact Mass278.19
IUPAC Name4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C15H23FN4/c1-3-17-15-18-8-13(16)14(20-15)19-9(2)12-7-10-4-5-11(12)6-10/h8-12H,3-7H2,1-2H3,(H2,17,18,19,20)
InChIKeyBLPVCOIGKXMRCU-UHFFFAOYSA-N
XLogP3.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (CID 80786315) is 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is CCNc1ncc(F)c(NC(C)C2CC3CCC2C3)n1.
What is the InChIKey of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The InChIKey is BLPVCOIGKXMRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c1-3-17-15-18-8-13(16)14(20-15)19-9(2)12-7-10-4-5-11(12)6-10/h8-12H,3-7H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine has a molecular weight of 278.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80786315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).