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

C17H18N8O2 — CID 154974894

IUPAC3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCc1nc(N[C@@H](C)c2cn(-c3ccncc3)cn2)nc(N2CCOC2=O)n1
InChIInChI=1S/C17H18N8O2/c1-11(14-9-24(10-19-14)13-3-5-18-6-4-13)20-15-21-12(2)22-16(23-15)25-7-8-27-17(25)26/h3-6,9-11H,7-8H2,1-2H3,(H,20,21,22,23)/t11-/m0/s1
InChIKeyNFALUEJSDNXJAD-NSHDSACASA-N
MW366.39 g/mol
LogP1.89
Rot. Bonds5

About 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

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 154974894) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 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 Name3-[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 CID154974894
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCc1nc(N[C@@H](C)c2cn(-c3ccncc3)cn2)nc(N2CCOC2=O)n1
InChIInChI=1S/C17H18N8O2/c1-11(14-9-24(10-19-14)13-3-5-18-6-4-13)20-15-21-12(2)22-16(23-15)25-7-8-27-17(25)26/h3-6,9-11H,7-8H2,1-2H3,(H,20,21,22,23)/t11-/m0/s1
InChIKeyNFALUEJSDNXJAD-NSHDSACASA-N
XLogP1.89
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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 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 154974894) is 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 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 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 Cc1nc(N[C@@H](C)c2cn(-c3ccncc3)cn2)nc(N2CCOC2=O)n1.
What is the InChIKey of 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 NFALUEJSDNXJAD-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N8O2/c1-11(14-9-24(10-19-14)13-3-5-18-6-4-13)20-15-21-12(2)22-16(23-15)25-7-8-27-17(25)26/h3-6,9-11H,7-8H2,1-2H3,(H,20,21,22,23)/t11-/m0/s1.
What are the key properties of 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?
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 366.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 154974894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).