methyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate

C11H14N4O2 — CID 171478161

IUPACmethyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CCN(c2ncc(N)cn2)CC1
InChIInChI=1S/C11H14N4O2/c1-17-10(16)8-2-4-15(5-3-8)11-13-6-9(12)7-14-11/h2,6-7H,3-5,12H2,1H3
InChIKeyRETDBKCHLPCNKT-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.37
Rot. Bonds2

About methyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate

methyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 171478161) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is methyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate
PubChem CID171478161
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Namemethyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CCN(c2ncc(N)cn2)CC1
InChIInChI=1S/C11H14N4O2/c1-17-10(16)8-2-4-15(5-3-8)11-13-6-9(12)7-14-11/h2,6-7H,3-5,12H2,1H3
InChIKeyRETDBKCHLPCNKT-UHFFFAOYSA-N
XLogP0.37
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate?
The IUPAC name of methyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate (CID 171478161) is methyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate?
The canonical SMILES for methyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate is COC(=O)C1=CCN(c2ncc(N)cn2)CC1.
What is the InChIKey of methyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate?
The InChIKey is RETDBKCHLPCNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-17-10(16)8-2-4-15(5-3-8)11-13-6-9(12)7-14-11/h2,6-7H,3-5,12H2,1H3.
What are the key properties of methyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate?
methyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 234.26 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-aminopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 171478161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).