methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate

C10H14N4O2 — CID 133385760

IUPACmethyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate
SMILESCOC(=O)N1CC(Nc2nccc(C)n2)C1
InChIInChI=1S/C10H14N4O2/c1-7-3-4-11-9(12-7)13-8-5-14(6-8)10(15)16-2/h3-4,8H,5-6H2,1-2H3,(H,11,12,13)
InChIKeySOYLDEOFFKULLS-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.65
Rot. Bonds2

About methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate

methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate (PubChem CID 133385760) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate
PubChem CID133385760
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Namemethyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate
SMILESCOC(=O)N1CC(Nc2nccc(C)n2)C1
InChIInChI=1S/C10H14N4O2/c1-7-3-4-11-9(12-7)13-8-5-14(6-8)10(15)16-2/h3-4,8H,5-6H2,1-2H3,(H,11,12,13)
InChIKeySOYLDEOFFKULLS-UHFFFAOYSA-N
XLogP0.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate?
The IUPAC name of methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate (CID 133385760) is methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate.
What is the SMILES notation for methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate?
The canonical SMILES for methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate is COC(=O)N1CC(Nc2nccc(C)n2)C1.
What is the InChIKey of methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate?
The InChIKey is SOYLDEOFFKULLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7-3-4-11-9(12-7)13-8-5-14(6-8)10(15)16-2/h3-4,8H,5-6H2,1-2H3,(H,11,12,13).
What are the key properties of methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate?
methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate has a molecular weight of 222.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 133385760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).