(2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine

C16H18FN3O — CID 129402014

IUPAC(2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine
SMILESCc1cc([C@@H]2CN(Cc3ncccn3)CCO2)ccc1F
InChIInChI=1S/C16H18FN3O/c1-12-9-13(3-4-14(12)17)15-10-20(7-8-21-15)11-16-18-5-2-6-19-16/h2-6,9,15H,7-8,10-11H2,1H3/t15-/m0/s1
InChIKeyQUAOPXKDWLBJEL-HNNXBMFYSA-N
MW287.34 g/mol
LogP2.50
Rot. Bonds3

About (2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine

(2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine (PubChem CID 129402014) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine
PubChem CID129402014
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name(2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine
SMILESCc1cc([C@@H]2CN(Cc3ncccn3)CCO2)ccc1F
InChIInChI=1S/C16H18FN3O/c1-12-9-13(3-4-14(12)17)15-10-20(7-8-21-15)11-16-18-5-2-6-19-16/h2-6,9,15H,7-8,10-11H2,1H3/t15-/m0/s1
InChIKeyQUAOPXKDWLBJEL-HNNXBMFYSA-N
XLogP2.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)pyrimidin-2-amine
CID 52945787
CID 56589672
CID 56589672
1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butan-1-ol
CID 10426775
1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
CID 4913097
2-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 57798887
[2-fluoro-3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl N-(diaminomethylidene)carbamate;hydrochloride
CID 89600723
3-(4-Fluoro-phenyl)-6-(4-pyrimidin-2-yl-piperazin-1-yl)-hexan-3-ol
CID 10428490
1-Phenyl-3-(4-(pyrimidin-2-yl)piperazin-1-yl)propan-1-ol
CID 10709212
5-[[3-(Butoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 14999841
[4-fluoro-3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl N-(diaminomethylidene)carbamate;dihydrochloride
CID 146029989
2-[[(3S)-3-[(4-fluoro-3-methylphenyl)methoxy]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 168271806
2-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]pyrimidine
CID 137656684

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine?
The IUPAC name of (2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine (CID 129402014) is (2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine.
What is the SMILES notation for (2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine?
The canonical SMILES for (2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine is Cc1cc([C@@H]2CN(Cc3ncccn3)CCO2)ccc1F.
What is the InChIKey of (2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine?
The InChIKey is QUAOPXKDWLBJEL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-12-9-13(3-4-14(12)17)15-10-20(7-8-21-15)11-16-18-5-2-6-19-16/h2-6,9,15H,7-8,10-11H2,1H3/t15-/m0/s1.
What are the key properties of (2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine?
(2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine has a molecular weight of 287.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine is sourced from PubChem (CID 129402014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).