(3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine

C15H16FN3O — CID 141135548

IUPAC(3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3O/c1-11-10-20-9-8-19(11)15-17-7-6-14(18-15)12-2-4-13(16)5-3-12/h2-7,11H,8-10H2,1H3/t11-/m1/s1
InChIKeyTYHXLIUXFIDRFL-LLVKDONJSA-N
MW273.31 g/mol
LogP2.51
Rot. Bonds2

About (3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine

(3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine (PubChem CID 141135548) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is (3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine
PubChem CID141135548
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name(3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3O/c1-11-10-20-9-8-19(11)15-17-7-6-14(18-15)12-2-4-13(16)5-3-12/h2-7,11H,8-10H2,1H3/t11-/m1/s1
InChIKeyTYHXLIUXFIDRFL-LLVKDONJSA-N
XLogP2.51
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[7-(4-fluorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441858
1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea
CID 53380860
4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 66838893
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
(3S)-4-[7-(furan-3-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441887
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine
CID 141105921
6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane
CID 145231642
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
(3S)-3-ethyl-4-[4-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 175844619
1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfanyl-3-pyridinyl)pyrimidin-4-yl]phenyl]urea
CID 67382676

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine (CID 141135548) is (3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1nccc(-c2ccc(F)cc2)n1.
What is the InChIKey of (3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine?
The InChIKey is TYHXLIUXFIDRFL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-11-10-20-9-8-19(11)15-17-7-6-14(18-15)12-2-4-13(16)5-3-12/h2-7,11H,8-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine has a molecular weight of 273.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 141135548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).