2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine

C15H20FN7O — CID 176556477

IUPAC2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine
SMILESCc1cnc(N2CCN(c3ncncn3)[C@@H](COCCF)C2)nc1
InChIInChI=1S/C15H20FN7O/c1-12-6-18-14(19-7-12)22-3-4-23(15-20-10-17-11-21-15)13(8-22)9-24-5-2-16/h6-7,10-11,13H,2-5,8-9H2,1H3/t13-/m1/s1
InChIKeyFHKOTONVJAISSL-CYBMUJFWSA-N
MW333.37 g/mol
LogP0.65
Rot. Bonds6

About 2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine

2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine (PubChem CID 176556477) has the molecular formula C15H20FN7O and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine
PubChem CID176556477
Molecular FormulaC15H20FN7O
Molecular Weight333.37 g/mol
Exact Mass333.17
IUPAC Name2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine
SMILESCc1cnc(N2CCN(c3ncncn3)[C@@H](COCCF)C2)nc1
InChIInChI=1S/C15H20FN7O/c1-12-6-18-14(19-7-12)22-3-4-23(15-20-10-17-11-21-15)13(8-22)9-24-5-2-16/h6-7,10-11,13H,2-5,8-9H2,1H3/t13-/m1/s1
InChIKeyFHKOTONVJAISSL-CYBMUJFWSA-N
XLogP0.65
TPSA80.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine 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-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pyrimidin-2-amine
CID 46202651
4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
(2-(Morpholin-4-yl)pyrimidin-5-yl)methanamine
CID 42556097
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72935483
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine
CID 73440651
2-Methoxy-5-[[4-(2-methylprop-2-enyl)piperazin-1-yl]methyl]pyrimidine
CID 73945347
2-Ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine
CID 95857239
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 95857248
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778
3-Methyl-4-[5-methyl-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]morpholine
CID 71863715
(3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine
CID 95188830
1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328398

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine?
The IUPAC name of 2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine (CID 176556477) is 2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine is Cc1cnc(N2CCN(c3ncncn3)[C@@H](COCCF)C2)nc1.
What is the InChIKey of 2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine?
The InChIKey is FHKOTONVJAISSL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20FN7O/c1-12-6-18-14(19-7-12)22-3-4-23(15-20-10-17-11-21-15)13(8-22)9-24-5-2-16/h6-7,10-11,13H,2-5,8-9H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine?
2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine has a molecular weight of 333.37 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 176556477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).