4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide

C8H12N4O3 — CID 140726398

IUPAC4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide
SMILESCOC[C@@H](C)Oc1ncnc(C(N)=O)n1
InChIInChI=1S/C8H12N4O3/c1-5(3-14-2)15-8-11-4-10-7(12-8)6(9)13/h4-5H,3H2,1-2H3,(H2,9,13)/t5-/m1/s1
InChIKeyYAIJGHCSAGTCGZ-RXMQYKEDSA-N
MW212.21 g/mol
LogP-0.62
Rot. Bonds5

About 4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide

4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide (PubChem CID 140726398) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide
PubChem CID140726398
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide
SMILESCOC[C@@H](C)Oc1ncnc(C(N)=O)n1
InChIInChI=1S/C8H12N4O3/c1-5(3-14-2)15-8-11-4-10-7(12-8)6(9)13/h4-5H,3H2,1-2H3,(H2,9,13)/t5-/m1/s1
InChIKeyYAIJGHCSAGTCGZ-RXMQYKEDSA-N
XLogP-0.62
TPSA100.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide (CID 140726398) is 4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide is COC[C@@H](C)Oc1ncnc(C(N)=O)n1.
What is the InChIKey of 4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide?
The InChIKey is YAIJGHCSAGTCGZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-5(3-14-2)15-8-11-4-10-7(12-8)6(9)13/h4-5H,3H2,1-2H3,(H2,9,13)/t5-/m1/s1.
What are the key properties of 4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide?
4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide has a molecular weight of 212.21 g/mol, XLogP of -0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 140726398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).