(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine

C15H17FN4O — CID 164637809

IUPAC(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine
SMILESFCC[C@H]1CN(c2ncnc(-c3ccccc3)n2)CCO1
InChIInChI=1S/C15H17FN4O/c16-7-6-13-10-20(8-9-21-13)15-18-11-17-14(19-15)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2/t13-/m0/s1
InChIKeyBBJKTRYFETUUPN-ZDUSSCGKSA-N
MW288.33 g/mol
LogP2.10
Rot. Bonds4

About (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine

(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine (PubChem CID 164637809) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine
PubChem CID164637809
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine
SMILESFCC[C@H]1CN(c2ncnc(-c3ccccc3)n2)CCO1
InChIInChI=1S/C15H17FN4O/c16-7-6-13-10-20(8-9-21-13)15-18-11-17-14(19-15)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2/t13-/m0/s1
InChIKeyBBJKTRYFETUUPN-ZDUSSCGKSA-N
XLogP2.10
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine
CID 164632113
2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 95875869
2-[4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,3,5-triazin-2-yl]morpholin-2-yl]-N,N-dimethylethanamine
CID 167778946
2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine
CID 97187203
[4-(6-amino-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 115915735
[4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine
CID 56896849
4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine
CID 110116477
2,4-diphenyl-1,3,5-triazine;oxolane
CID 174946165
7-[2-(aminomethyl)morpholin-4-yl]-6-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 69168398
4-(5-fluoro-4-methoxypyrimidin-2-yl)-2-(2-methoxyethyl)morpholine
CID 131900324
[4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]methanol
CID 115750247
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine
CID 75466960

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine (CID 164637809) is (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine is FCC[C@H]1CN(c2ncnc(-c3ccccc3)n2)CCO1.
What is the InChIKey of (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine?
The InChIKey is BBJKTRYFETUUPN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-7-6-13-10-20(8-9-21-13)15-18-11-17-14(19-15)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2/t13-/m0/s1.
What are the key properties of (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine?
(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine has a molecular weight of 288.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 164637809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).