N-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid

C12H15F3N4O4 — CID 146314049

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C)nc(NC(=O)C2CNC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N4O2.C2HF3O2/c1-6-3-8(16-2)13-10(12-6)14-9(15)7-4-11-5-7;3-2(4,5)1(6)7/h3,7,11H,4-5H2,1-2H3,(H,12,13,14,15);(H,6,7)
InChIKeyOUUIWWQKVHTNGC-UHFFFAOYSA-N
MW336.27 g/mol
LogP0.58
Rot. Bonds3

About N-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid

N-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146314049) has the molecular formula C12H15F3N4O4 and a molecular weight of 336.27 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146314049
Molecular FormulaC12H15F3N4O4
Molecular Weight336.27 g/mol
Exact Mass336.10
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C)nc(NC(=O)C2CNC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N4O2.C2HF3O2/c1-6-3-8(16-2)13-10(12-6)14-9(15)7-4-11-5-7;3-2(4,5)1(6)7/h3,7,11H,4-5H2,1-2H3,(H,12,13,14,15);(H,6,7)
InChIKeyOUUIWWQKVHTNGC-UHFFFAOYSA-N
XLogP0.58
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 146314049) is N-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid is COc1cc(C)nc(NC(=O)C2CNC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is OUUIWWQKVHTNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2.C2HF3O2/c1-6-3-8(16-2)13-10(12-6)14-9(15)7-4-11-5-7;3-2(4,5)1(6)7/h3,7,11H,4-5H2,1-2H3,(H,12,13,14,15);(H,6,7).
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 336.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methylpyrimidin-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146314049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).