N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine

C13H18FN3 — CID 112703061

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine
SMILESCC(Nc1ncc(F)cn1)C1CC2CCC1C2
InChIInChI=1S/C13H18FN3/c1-8(12-5-9-2-3-10(12)4-9)17-13-15-6-11(14)7-16-13/h6-10,12H,2-5H2,1H3,(H,15,16,17)
InChIKeyDWIJPRTZBJPJCQ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.85
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine (PubChem CID 112703061) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine
PubChem CID112703061
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine
SMILESCC(Nc1ncc(F)cn1)C1CC2CCC1C2
InChIInChI=1S/C13H18FN3/c1-8(12-5-9-2-3-10(12)4-9)17-13-15-6-11(14)7-16-13/h6-10,12H,2-5H2,1H3,(H,15,16,17)
InChIKeyDWIJPRTZBJPJCQ-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 62870256
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine
CID 43098628
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-fluoropyridin-2-amine
CID 61227813
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine
CID 114869144
1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine
CID 4848964
(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine
CID 98305321
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-nitro-1,3-thiazol-2-amine
CID 100615398
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine
CID 43115419
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyclopropylimidazol-2-amine
CID 106557764
2-amino-N-[5-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-pyridinyl]acetamide
CID 82034085
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80785782
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromopyridine-3,4-diamine
CID 103517553

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine (CID 112703061) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine is CC(Nc1ncc(F)cn1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine?
The InChIKey is DWIJPRTZBJPJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-8(12-5-9-2-3-10(12)4-9)17-13-15-6-11(14)7-16-13/h6-10,12H,2-5H2,1H3,(H,15,16,17).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.85, 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]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 112703061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).