methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate

C16H23N3O2 — CID 66285213

IUPACmethyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C16H23N3O2/c1-9-6-14(19-15(17-9)16(20)21-3)18-10(2)13-8-11-4-5-12(13)7-11/h6,10-13H,4-5,7-8H2,1-3H3,(H,17,18,19)
InChIKeyHYBYZPDMFXPUEF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.81
Rot. Bonds4

About methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate

methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate (PubChem CID 66285213) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate
PubChem CID66285213
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Namemethyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C16H23N3O2/c1-9-6-14(19-15(17-9)16(20)21-3)18-10(2)13-8-11-4-5-12(13)7-11/h6,10-13H,4-5,7-8H2,1-3H3,(H,17,18,19)
InChIKeyHYBYZPDMFXPUEF-UHFFFAOYSA-N
XLogP2.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate (CID 66285213) is methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NC(C)C2CC3CCC2C3)n1.
What is the InChIKey of methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate?
The InChIKey is HYBYZPDMFXPUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-9-6-14(19-15(17-9)16(20)21-3)18-10(2)13-8-11-4-5-12(13)7-11/h6,10-13H,4-5,7-8H2,1-3H3,(H,17,18,19).
What are the key properties of methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate?
methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66285213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).