methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate

C12H17N3O3 — CID 66286549

IUPACmethyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(OC2CCCC2CN)n1
InChIInChI=1S/C12H17N3O3/c1-17-12(16)11-14-6-5-10(15-11)18-9-4-2-3-8(9)7-13/h5-6,8-9H,2-4,7,13H2,1H3
InChIKeyIFIAXUGNOQYJPB-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.77
Rot. Bonds4

About methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate

methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate (PubChem CID 66286549) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate
PubChem CID66286549
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(OC2CCCC2CN)n1
InChIInChI=1S/C12H17N3O3/c1-17-12(16)11-14-6-5-10(15-11)18-9-4-2-3-8(9)7-13/h5-6,8-9H,2-4,7,13H2,1H3
InChIKeyIFIAXUGNOQYJPB-UHFFFAOYSA-N
XLogP0.77
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate (CID 66286549) is methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate is COC(=O)c1nccc(OC2CCCC2CN)n1.
What is the InChIKey of methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate?
The InChIKey is IFIAXUGNOQYJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-12(16)11-14-6-5-10(15-11)18-9-4-2-3-8(9)7-13/h5-6,8-9H,2-4,7,13H2,1H3.
What are the key properties of methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate?
methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate is sourced from PubChem (CID 66286549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).