N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine

C11H17N3O — CID 63565130

IUPACN-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine
SMILESCCNC(c1ncccn1)C1CCOC1
InChIInChI=1S/C11H17N3O/c1-2-12-10(9-4-7-15-8-9)11-13-5-3-6-14-11/h3,5-6,9-10,12H,2,4,7-8H2,1H3
InChIKeyLTDSDQUBTHCEFQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.16
Rot. Bonds4

About N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine

N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine (PubChem CID 63565130) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine
PubChem CID63565130
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine
SMILESCCNC(c1ncccn1)C1CCOC1
InChIInChI=1S/C11H17N3O/c1-2-12-10(9-4-7-15-8-9)11-13-5-3-6-14-11/h3,5-6,9-10,12H,2,4,7-8H2,1H3
InChIKeyLTDSDQUBTHCEFQ-UHFFFAOYSA-N
XLogP1.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine
CID 63565313
N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine
CID 82932188
N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563797
N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 114603367
N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine
CID 115530813
N-[(2,3-difluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 65330309
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508
N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276509
N-[(3-chloro-2-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 64713292
N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 79914070
N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276511
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine?
The IUPAC name of N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine (CID 63565130) is N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine is CCNC(c1ncccn1)C1CCOC1.
What is the InChIKey of N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine?
The InChIKey is LTDSDQUBTHCEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-12-10(9-4-7-15-8-9)11-13-5-3-6-14-11/h3,5-6,9-10,12H,2,4,7-8H2,1H3.
What are the key properties of N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine?
N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 63565130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).