4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine

C10H13ClFN3O — CID 59566476

IUPAC4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1O[C@H]1CCNC[C@H]1F
InChIInChI=1S/C10H13ClFN3O/c1-6-9(11)14-5-15-10(6)16-8-2-3-13-4-7(8)12/h5,7-8,13H,2-4H2,1H3/t7-,8+/m1/s1
InChIKeyFFIGHYQRDVMAMV-SFYZADRCSA-N
MW245.68 g/mol
LogP1.52
Rot. Bonds2

About 4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine

4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine (PubChem CID 59566476) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is 4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine
PubChem CID59566476
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1O[C@H]1CCNC[C@H]1F
InChIInChI=1S/C10H13ClFN3O/c1-6-9(11)14-5-15-10(6)16-8-2-3-13-4-7(8)12/h5,7-8,13H,2-4H2,1H3/t7-,8+/m1/s1
InChIKeyFFIGHYQRDVMAMV-SFYZADRCSA-N
XLogP1.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine 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 4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine (CID 59566476) is 4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine is Cc1c(Cl)ncnc1O[C@H]1CCNC[C@H]1F.
What is the InChIKey of 4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine?
The InChIKey is FFIGHYQRDVMAMV-SFYZADRCSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c1-6-9(11)14-5-15-10(6)16-8-2-3-13-4-7(8)12/h5,7-8,13H,2-4H2,1H3/t7-,8+/m1/s1.
What are the key properties of 4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine?
4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine has a molecular weight of 245.68 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidine is sourced from PubChem (CID 59566476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).