[2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine

C13H21N3O2 — CID 66332275

IUPAC[2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine
SMILESCOc1cc(OCC2CCCC2CN)nc(C)n1
InChIInChI=1S/C13H21N3O2/c1-9-15-12(17-2)6-13(16-9)18-8-11-5-3-4-10(11)7-14/h6,10-11H,3-5,7-8,14H2,1-2H3
InChIKeyAMJFEPFVGPYGKG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.55
Rot. Bonds5

About [2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine

[2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine (PubChem CID 66332275) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine
PubChem CID66332275
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine
SMILESCOc1cc(OCC2CCCC2CN)nc(C)n1
InChIInChI=1S/C13H21N3O2/c1-9-15-12(17-2)6-13(16-9)18-8-11-5-3-4-10(11)7-14/h6,10-11H,3-5,7-8,14H2,1-2H3
InChIKeyAMJFEPFVGPYGKG-UHFFFAOYSA-N
XLogP1.55
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine (CID 66332275) is [2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine is COc1cc(OCC2CCCC2CN)nc(C)n1.
What is the InChIKey of [2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine?
The InChIKey is AMJFEPFVGPYGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-15-12(17-2)6-13(16-9)18-8-11-5-3-4-10(11)7-14/h6,10-11H,3-5,7-8,14H2,1-2H3.
What are the key properties of [2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine?
[2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine is sourced from PubChem (CID 66332275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).