methyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate

C12H20N4O4 — CID 126683552

IUPACmethyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate
SMILESCCCNc1nc(O[C@H](C)COC)nc(C(=O)OC)n1
InChIInChI=1S/C12H20N4O4/c1-5-6-13-11-14-9(10(17)19-4)15-12(16-11)20-8(2)7-18-3/h8H,5-7H2,1-4H3,(H,13,14,15,16)/t8-/m1/s1
InChIKeyDCZIJDIFSLEJMY-MRVPVSSYSA-N
MW284.32 g/mol
LogP0.89
Rot. Bonds8

About methyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate

methyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate (PubChem CID 126683552) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate
PubChem CID126683552
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Namemethyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate
SMILESCCCNc1nc(O[C@H](C)COC)nc(C(=O)OC)n1
InChIInChI=1S/C12H20N4O4/c1-5-6-13-11-14-9(10(17)19-4)15-12(16-11)20-8(2)7-18-3/h8H,5-7H2,1-4H3,(H,13,14,15,16)/t8-/m1/s1
InChIKeyDCZIJDIFSLEJMY-MRVPVSSYSA-N
XLogP0.89
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate?
The IUPAC name of methyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate (CID 126683552) is methyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate?
The canonical SMILES for methyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate is CCCNc1nc(O[C@H](C)COC)nc(C(=O)OC)n1.
What is the InChIKey of methyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate?
The InChIKey is DCZIJDIFSLEJMY-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-5-6-13-11-14-9(10(17)19-4)15-12(16-11)20-8(2)7-18-3/h8H,5-7H2,1-4H3,(H,13,14,15,16)/t8-/m1/s1.
What are the key properties of methyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate?
methyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 126683552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).