2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine

C12H15F2N3 — CID 114207297

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine
SMILESNc1cnc(C2CC3CCC2C3)nc1C(F)F
InChIInChI=1S/C12H15F2N3/c13-11(14)10-9(15)5-16-12(17-10)8-4-6-1-2-7(8)3-6/h5-8,11H,1-4,15H2
InChIKeyAUCRJMBDELRXDF-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.90
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine

2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine (PubChem CID 114207297) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine
PubChem CID114207297
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine
SMILESNc1cnc(C2CC3CCC2C3)nc1C(F)F
InChIInChI=1S/C12H15F2N3/c13-11(14)10-9(15)5-16-12(17-10)8-4-6-1-2-7(8)3-6/h5-8,11H,1-4,15H2
InChIKeyAUCRJMBDELRXDF-UHFFFAOYSA-N
XLogP2.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine
CID 114207293
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431749
ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-propylpyrimidine-5-carboxylate
CID 102972668
2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine
CID 113383603
[2-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-5-yl]methanol
CID 164653417
2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine
CID 130483737
1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole
CID 69224518
2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole
CID 159126211
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine
CID 104506859
5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847082
5-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloroethyl)-1,3-oxazole
CID 65179762
4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine
CID 114207291

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine (CID 114207297) is 2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine is Nc1cnc(C2CC3CCC2C3)nc1C(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine?
The InChIKey is AUCRJMBDELRXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3/c13-11(14)10-9(15)5-16-12(17-10)8-4-6-1-2-7(8)3-6/h5-8,11H,1-4,15H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine?
2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine has a molecular weight of 239.27 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 114207297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).