(3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine

C16H18FN3O — CID 95826489

IUPAC(3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(Cc2ccc(F)cc2)cc([C@H]2COCCN2)n1
InChIInChI=1S/C16H18FN3O/c1-11-19-14(8-12-2-4-13(17)5-3-12)9-15(20-11)16-10-21-7-6-18-16/h2-5,9,16,18H,6-8,10H2,1H3/t16-/m1/s1
InChIKeyGFVQZYMNFJLSDW-MRXNPFEDSA-N
MW287.34 g/mol
LogP2.18
Rot. Bonds3

About (3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine

(3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine (PubChem CID 95826489) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is (3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine
PubChem CID95826489
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name(3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(Cc2ccc(F)cc2)cc([C@H]2COCCN2)n1
InChIInChI=1S/C16H18FN3O/c1-11-19-14(8-12-2-4-13(17)5-3-12)9-15(20-11)16-10-21-7-6-18-16/h2-5,9,16,18H,6-8,10H2,1H3/t16-/m1/s1
InChIKeyGFVQZYMNFJLSDW-MRXNPFEDSA-N
XLogP2.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine?
The IUPAC name of (3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine (CID 95826489) is (3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for (3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for (3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine is Cc1nc(Cc2ccc(F)cc2)cc([C@H]2COCCN2)n1.
What is the InChIKey of (3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine?
The InChIKey is GFVQZYMNFJLSDW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11-19-14(8-12-2-4-13(17)5-3-12)9-15(20-11)16-10-21-7-6-18-16/h2-5,9,16,18H,6-8,10H2,1H3/t16-/m1/s1.
What are the key properties of (3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine?
(3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine has a molecular weight of 287.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 95826489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).