(6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one

C21H28FN3O3 — CID 9292544

IUPAC(6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one
SMILESCC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2F)NC(=O)N1CCC(C)C
InChIInChI=1S/C21H28FN3O3/c1-14(2)8-9-25-15(3)18(20(26)24-10-12-28-13-11-24)19(23-21(25)27)16-6-4-5-7-17(16)22/h4-7,14,19H,8-13H2,1-3H3,(H,23,27)/t19-/m1/s1
InChIKeyUQFLPBPGHLYYLS-LJQANCHMSA-N
MW389.47 g/mol
LogP3.07
Rot. Bonds5

About (6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one

(6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one (PubChem CID 9292544) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is (6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name(6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one
PubChem CID9292544
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name(6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one
SMILESCC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2F)NC(=O)N1CCC(C)C
InChIInChI=1S/C21H28FN3O3/c1-14(2)8-9-25-15(3)18(20(26)24-10-12-28-13-11-24)19(23-21(25)27)16-6-4-5-7-17(16)22/h4-7,14,19H,8-13H2,1-3H3,(H,23,27)/t19-/m1/s1
InChIKeyUQFLPBPGHLYYLS-LJQANCHMSA-N
XLogP3.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one?
The IUPAC name of (6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one (CID 9292544) is (6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for (6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one?
The canonical SMILES for (6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one is CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2F)NC(=O)N1CCC(C)C.
What is the InChIKey of (6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one?
The InChIKey is UQFLPBPGHLYYLS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28FN3O3/c1-14(2)8-9-25-15(3)18(20(26)24-10-12-28-13-11-24)19(23-21(25)27)16-6-4-5-7-17(16)22/h4-7,14,19H,8-13H2,1-3H3,(H,23,27)/t19-/m1/s1.
What are the key properties of (6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one?
(6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one has a molecular weight of 389.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-fluorophenyl)-4-methyl-3-(3-methylbutyl)-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 9292544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).