(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one

C19H24F3N7O4 — CID 163662943

IUPAC(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCCCN(CCO)c1nc(-c2cnc(N)nc2C(F)(F)F)cc(N2C(=O)O[C@H](CO)[C@@H]2C)n1
InChIInChI=1S/C19H24F3N7O4/c1-3-4-28(5-6-30)17-25-12(11-8-24-16(23)27-15(11)19(20,21)22)7-14(26-17)29-10(2)13(9-31)33-18(29)32/h7-8,10,13,30-31H,3-6,9H2,1-2H3,(H2,23,24,27)/t10-,13+/m0/s1
InChIKeyIVYATYSSKRNHBI-GXFFZTMASA-N
MW471.44 g/mol
LogP1.45
Rot. Bonds8

About (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one

(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 163662943) has the molecular formula C19H24F3N7O4 and a molecular weight of 471.44 g/mol. Its IUPAC name is (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID163662943
Molecular FormulaC19H24F3N7O4
Molecular Weight471.44 g/mol
Exact Mass471.18
IUPAC Name(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCCCN(CCO)c1nc(-c2cnc(N)nc2C(F)(F)F)cc(N2C(=O)O[C@H](CO)[C@@H]2C)n1
InChIInChI=1S/C19H24F3N7O4/c1-3-4-28(5-6-30)17-25-12(11-8-24-16(23)27-15(11)19(20,21)22)7-14(26-17)29-10(2)13(9-31)33-18(29)32/h7-8,10,13,30-31H,3-6,9H2,1-2H3,(H2,23,24,27)/t10-,13+/m0/s1
InChIKeyIVYATYSSKRNHBI-GXFFZTMASA-N
XLogP1.45
TPSA150.82 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one (CID 163662943) is (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one is CCCN(CCO)c1nc(-c2cnc(N)nc2C(F)(F)F)cc(N2C(=O)O[C@H](CO)[C@@H]2C)n1.
What is the InChIKey of (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is IVYATYSSKRNHBI-GXFFZTMASA-N. The full InChI is InChI=1S/C19H24F3N7O4/c1-3-4-28(5-6-30)17-25-12(11-8-24-16(23)27-15(11)19(20,21)22)7-14(26-17)29-10(2)13(9-31)33-18(29)32/h7-8,10,13,30-31H,3-6,9H2,1-2H3,(H2,23,24,27)/t10-,13+/m0/s1.
What are the key properties of (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 471.44 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 163662943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).