2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine

C11H15FN4 — CID 146155963

IUPAC2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine
SMILESCN1C[C@@H]2C[C@H]1CN2c1cnc(F)c(N)c1
InChIInChI=1S/C11H15FN4/c1-15-5-9-2-8(15)6-16(9)7-3-10(13)11(12)14-4-7/h3-4,8-9H,2,5-6,13H2,1H3/t8-,9-/m0/s1
InChIKeyCZFWTHFFWRUZTR-IUCAKERBSA-N
MW222.27 g/mol
LogP0.70
Rot. Bonds1

About 2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine

2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine (PubChem CID 146155963) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine
PubChem CID146155963
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine
SMILESCN1C[C@@H]2C[C@H]1CN2c1cnc(F)c(N)c1
InChIInChI=1S/C11H15FN4/c1-15-5-9-2-8(15)6-16(9)7-3-10(13)11(12)14-4-7/h3-4,8-9H,2,5-6,13H2,1H3/t8-,9-/m0/s1
InChIKeyCZFWTHFFWRUZTR-IUCAKERBSA-N
XLogP0.70
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-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-methoxy-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)aniline
CID 171062930
(1S,4S)-2-methyl-5-(2-methyl-4-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
CID 126578132
2-amino-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
CID 67114778
2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 16639637
(1S,4S)-2-(4-iodophenyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 170043061
2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide
CID 169091507
3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazin-2-amine
CID 69031089
(1S,4S)-2-(6-chloro-3-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methylbenzenesulfonic acid
CID 16748235
2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine
CID 172575571
2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane
CID 169288848
5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
CID 18999113
1-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethanone
CID 84793811

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine?
The IUPAC name of 2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine (CID 146155963) is 2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine.
What is the SMILES notation for 2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine?
The canonical SMILES for 2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine is CN1C[C@@H]2C[C@H]1CN2c1cnc(F)c(N)c1.
What is the InChIKey of 2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine?
The InChIKey is CZFWTHFFWRUZTR-IUCAKERBSA-N. The full InChI is InChI=1S/C11H15FN4/c1-15-5-9-2-8(15)6-16(9)7-3-10(13)11(12)14-4-7/h3-4,8-9H,2,5-6,13H2,1H3/t8-,9-/m0/s1.
What are the key properties of 2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine?
2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine has a molecular weight of 222.27 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine is sourced from PubChem (CID 146155963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).