N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine

C12H19N3O — CID 65332037

IUPACN-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
SMILESCCNC(c1cncnc1)C1CCCOC1
InChIInChI=1S/C12H19N3O/c1-2-15-12(10-4-3-5-16-8-10)11-6-13-9-14-7-11/h6-7,9-10,12,15H,2-5,8H2,1H3
InChIKeyOWRPSLRTCCCJOC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.55
Rot. Bonds4

About N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine

N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine (PubChem CID 65332037) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
PubChem CID65332037
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
SMILESCCNC(c1cncnc1)C1CCCOC1
InChIInChI=1S/C12H19N3O/c1-2-15-12(10-4-3-5-16-8-10)11-6-13-9-14-7-11/h6-7,9-10,12,15H,2-5,8H2,1H3
InChIKeyOWRPSLRTCCCJOC-UHFFFAOYSA-N
XLogP1.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421
N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139268
N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 116506203
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 114688035
N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine
CID 115827057
N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331655
N-[oxan-3-yl-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 107139188
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63015763
N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107139269
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034
N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923487

Frequently Asked Questions

What is the IUPAC name of N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine (CID 65332037) is N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine is CCNC(c1cncnc1)C1CCCOC1.
What is the InChIKey of N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine?
The InChIKey is OWRPSLRTCCCJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-12(10-4-3-5-16-8-10)11-6-13-9-14-7-11/h6-7,9-10,12,15H,2-5,8H2,1H3.
What are the key properties of N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine?
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 65332037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).