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

C14H21FN4 — CID 80785006

IUPAC4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C14H21FN4/c1-8(11-6-9-3-4-10(11)5-9)18-13-12(15)7-17-14(16-2)19-13/h7-11H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyOPOMMOWNCQJQPS-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.89
Rot. Bonds4

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

4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80785006) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
PubChem CID80785006
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC Name4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C14H21FN4/c1-8(11-6-9-3-4-10(11)5-9)18-13-12(15)7-17-14(16-2)19-13/h7-11H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyOPOMMOWNCQJQPS-UHFFFAOYSA-N
XLogP2.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine (CID 80785006) is 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(F)c(NC(C)C2CC3CCC2C3)n1.
What is the InChIKey of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is OPOMMOWNCQJQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4/c1-8(11-6-9-3-4-10(11)5-9)18-13-12(15)7-17-14(16-2)19-13/h7-11H,3-6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 264.35 g/mol, XLogP of 2.89, 4 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]-5-fluoro-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80785006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).