(4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

C19H22N8O2 — CID 154591596

IUPAC(4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1c1nc(C)nc(N[C@@H](C)c2cn(-c3ccncc3)cn2)n1
InChIInChI=1S/C19H22N8O2/c1-4-14-10-29-19(28)27(14)18-24-13(3)23-17(25-18)22-12(2)16-9-26(11-21-16)15-5-7-20-8-6-15/h5-9,11-12,14H,4,10H2,1-3H3,(H,22,23,24,25)/t12-,14-/m0/s1
InChIKeyYYVWQDSAFPAGEM-JSGCOSHPSA-N
MW394.44 g/mol
LogP2.67
Rot. Bonds6

About (4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

(4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 154591596) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is (4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID154591596
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name(4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1c1nc(C)nc(N[C@@H](C)c2cn(-c3ccncc3)cn2)n1
InChIInChI=1S/C19H22N8O2/c1-4-14-10-29-19(28)27(14)18-24-13(3)23-17(25-18)22-12(2)16-9-26(11-21-16)15-5-7-20-8-6-15/h5-9,11-12,14H,4,10H2,1-3H3,(H,22,23,24,25)/t12-,14-/m0/s1
InChIKeyYYVWQDSAFPAGEM-JSGCOSHPSA-N
XLogP2.67
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (CID 154591596) is (4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is CC[C@H]1COC(=O)N1c1nc(C)nc(N[C@@H](C)c2cn(-c3ccncc3)cn2)n1.
What is the InChIKey of (4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is YYVWQDSAFPAGEM-JSGCOSHPSA-N. The full InChI is InChI=1S/C19H22N8O2/c1-4-14-10-29-19(28)27(14)18-24-13(3)23-17(25-18)22-12(2)16-9-26(11-21-16)15-5-7-20-8-6-15/h5-9,11-12,14H,4,10H2,1-3H3,(H,22,23,24,25)/t12-,14-/m0/s1.
What are the key properties of (4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
(4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 394.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154591596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).