2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine

C12H17F2N3 — CID 114207293

IUPAC2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine
SMILESNc1cnc(C2CCCCCC2)nc1C(F)F
InChIInChI=1S/C12H17F2N3/c13-11(14)10-9(15)7-16-12(17-10)8-5-3-1-2-4-6-8/h7-8,11H,1-6,15H2
InChIKeyWVUUUSDYOQTFFE-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.43
Rot. Bonds2

About 2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine

2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine (PubChem CID 114207293) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine
PubChem CID114207293
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine
SMILESNc1cnc(C2CCCCCC2)nc1C(F)F
InChIInChI=1S/C12H17F2N3/c13-11(14)10-9(15)7-16-12(17-10)8-5-3-1-2-4-6-8/h7-8,11H,1-6,15H2
InChIKeyWVUUUSDYOQTFFE-UHFFFAOYSA-N
XLogP3.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine 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

2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine
CID 114207297
2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid
CID 64986088
5-bromo-2-cyclooctylpyrimidin-4-amine
CID 80610598
2-cyclopentyl-5-iodopyrimidin-4-amine
CID 66303504
(2-cyclohexyl-4-methylpyrimidin-5-yl)methanamine
CID 82506978
2-cyclohexyl-5-methoxypyrimidin-4-amine
CID 83820292
2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine
CID 130483737
2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine
CID 83896746
5-(bromomethyl)-4-(difluoromethyl)-2-(3-ethylcyclohexyl)pyrimidine
CID 114205872
[2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine
CID 114217063
2-cyclohexylquinazoline
CID 22611708
5-bromo-4-chloro-2-cyclooctylpyrimidine
CID 80603225

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine?
The IUPAC name of 2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine (CID 114207293) is 2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine is Nc1cnc(C2CCCCCC2)nc1C(F)F.
What is the InChIKey of 2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine?
The InChIKey is WVUUUSDYOQTFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c13-11(14)10-9(15)7-16-12(17-10)8-5-3-1-2-4-6-8/h7-8,11H,1-6,15H2.
What are the key properties of 2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine?
2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine has a molecular weight of 241.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 114207293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).