methyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate

C11H13N3O2 — CID 57420153

IUPACmethyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CCN(c2ncccn2)CC1
InChIInChI=1S/C11H13N3O2/c1-16-10(15)9-3-7-14(8-4-9)11-12-5-2-6-13-11/h2-3,5-6H,4,7-8H2,1H3
InChIKeyAXQXFWHJFZVJNV-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.79
Rot. Bonds2

About methyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate

methyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 57420153) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate
PubChem CID57420153
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CCN(c2ncccn2)CC1
InChIInChI=1S/C11H13N3O2/c1-16-10(15)9-3-7-14(8-4-9)11-12-5-2-6-13-11/h2-3,5-6H,4,7-8H2,1H3
InChIKeyAXQXFWHJFZVJNV-UHFFFAOYSA-N
XLogP0.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate?
The IUPAC name of methyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate (CID 57420153) is methyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate?
The canonical SMILES for methyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate is COC(=O)C1=CCN(c2ncccn2)CC1.
What is the InChIKey of methyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate?
The InChIKey is AXQXFWHJFZVJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-16-10(15)9-3-7-14(8-4-9)11-12-5-2-6-13-11/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of methyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate?
methyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 57420153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).