[4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine

C12H15F2N3O — CID 114206174

IUPAC[4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(C2CC3CCC2O3)nc1C(F)F
InChIInChI=1S/C12H15F2N3O/c13-11(14)10-6(4-15)5-16-12(17-10)8-3-7-1-2-9(8)18-7/h5,7-9,11H,1-4,15H2
InChIKeyNZYSHLRPFBFNNY-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.91
Rot. Bonds3

About [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine

[4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine (PubChem CID 114206174) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine
PubChem CID114206174
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name[4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(C2CC3CCC2O3)nc1C(F)F
InChIInChI=1S/C12H15F2N3O/c13-11(14)10-6(4-15)5-16-12(17-10)8-3-7-1-2-9(8)18-7/h5,7-9,11H,1-4,15H2
InChIKeyNZYSHLRPFBFNNY-UHFFFAOYSA-N
XLogP1.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

5-fluoro-N,6-dimethyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
CID 65999590
N-ethyl-5-fluoro-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
CID 66000390
5-fluoro-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrimidin-4-amine
CID 66000402
[4-(Difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanol
CID 114205189
5-(Chloromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-(trifluoromethyl)pyrimidine
CID 114205284
5-(Chloromethyl)-4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine
CID 114205517
5-(Bromomethyl)-4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine
CID 114205884
[2-(Oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 114205976
[4-(Difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanamine
CID 114206152
[4-(Difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine
CID 114206163
N-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 114206559
1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine
CID 114206933

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine (CID 114206174) is [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine is NCc1cnc(C2CC3CCC2O3)nc1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine?
The InChIKey is NZYSHLRPFBFNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c13-11(14)10-6(4-15)5-16-12(17-10)8-3-7-1-2-9(8)18-7/h5,7-9,11H,1-4,15H2.
What are the key properties of [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine?
[4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine has a molecular weight of 255.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114206174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).