N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine

C11H13ClFN3 — CID 79075583

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CC2CCC1C2
InChIInChI=1S/C11H13ClFN3/c12-11-14-5-8(13)10(16-11)15-9-4-6-1-2-7(9)3-6/h5-7,9H,1-4H2,(H,14,15,16)
InChIKeyJGOFZGHKHGAETH-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.87
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine

N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine (PubChem CID 79075583) has the molecular formula C11H13ClFN3 and a molecular weight of 241.70 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine
PubChem CID79075583
Molecular FormulaC11H13ClFN3
Molecular Weight241.70 g/mol
Exact Mass241.08
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CC2CCC1C2
InChIInChI=1S/C11H13ClFN3/c12-11-14-5-8(13)10(16-11)15-9-4-6-1-2-7(9)3-6/h5-7,9H,1-4H2,(H,14,15,16)
InChIKeyJGOFZGHKHGAETH-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine
CID 88589836
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine
CID 102751237
4-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,4-diamine
CID 89143426
2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine
CID 59210379
1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine
CID 88544926
methyl (2S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]bicyclo[2.2.2]octane-2-carboxylate
CID 130386212
1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride
CID 175069422
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630356
2-chloro-N-(1,1-dioxothian-4-yl)-5-fluoropyrimidin-4-amine
CID 79080718
cis-(2S,6R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methoxycyclohexan-1-ol
CID 88589933
N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine
CID 80917302

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine (CID 79075583) is N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine is Fc1cnc(Cl)nc1NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine?
The InChIKey is JGOFZGHKHGAETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3/c12-11-14-5-8(13)10(16-11)15-9-4-6-1-2-7(9)3-6/h5-7,9H,1-4H2,(H,14,15,16).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine?
N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine has a molecular weight of 241.70 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 79075583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).