(2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine

C12H15F4N3 — CID 100643956

IUPAC(2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine
SMILESC[C@H](CNc1c(F)c(F)nc(F)c1F)N(C)C1CC1
InChIInChI=1S/C12H15F4N3/c1-6(19(2)7-3-4-7)5-17-10-8(13)11(15)18-12(16)9(10)14/h6-7H,3-5H2,1-2H3,(H,17,18)/t6-/m1/s1
InChIKeyQUFLGCUUDPKAGY-ZCFIWIBFSA-N
MW277.26 g/mol
LogP2.53
Rot. Bonds5

About (2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine

(2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine (PubChem CID 100643956) has the molecular formula C12H15F4N3 and a molecular weight of 277.26 g/mol. Its IUPAC name is (2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine
PubChem CID100643956
Molecular FormulaC12H15F4N3
Molecular Weight277.26 g/mol
Exact Mass277.12
IUPAC Name(2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine
SMILESC[C@H](CNc1c(F)c(F)nc(F)c1F)N(C)C1CC1
InChIInChI=1S/C12H15F4N3/c1-6(19(2)7-3-4-7)5-17-10-8(13)11(15)18-12(16)9(10)14/h6-7H,3-5H2,1-2H3,(H,17,18)/t6-/m1/s1
InChIKeyQUFLGCUUDPKAGY-ZCFIWIBFSA-N
XLogP2.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine?
The IUPAC name of (2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine (CID 100643956) is (2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine is C[C@H](CNc1c(F)c(F)nc(F)c1F)N(C)C1CC1.
What is the InChIKey of (2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine?
The InChIKey is QUFLGCUUDPKAGY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H15F4N3/c1-6(19(2)7-3-4-7)5-17-10-8(13)11(15)18-12(16)9(10)14/h6-7H,3-5H2,1-2H3,(H,17,18)/t6-/m1/s1.
What are the key properties of (2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine?
(2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine has a molecular weight of 277.26 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine is sourced from PubChem (CID 100643956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).