N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine

C11H13N3O — CID 62715603

IUPACN-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine
SMILESCCNC(c1cncnc1)c1ccco1
InChIInChI=1S/C11H13N3O/c1-2-14-11(10-4-3-5-15-10)9-6-12-8-13-7-9/h3-8,11,14H,2H2,1H3
InChIKeyAHYTURVNFDUVTM-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.77
Rot. Bonds4

About N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine

N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine (PubChem CID 62715603) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine
PubChem CID62715603
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine
SMILESCCNC(c1cncnc1)c1ccco1
InChIInChI=1S/C11H13N3O/c1-2-14-11(10-4-3-5-15-10)9-6-12-8-13-7-9/h3-8,11,14H,2H2,1H3
InChIKeyAHYTURVNFDUVTM-UHFFFAOYSA-N
XLogP1.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-dimethyl-4-pyridinyl)-(furan-2-yl)methyl]ethanamine
CID 107503948
N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 114104199
N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63185696
N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360723
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388
N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 62796998
N-[2,3-dihydro-1H-inden-5-yl(furan-2-yl)methyl]ethanamine
CID 43491712
N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544236
N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine
CID 103215267
N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine
CID 105119009
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988
N-[pyrimidin-5-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115827042

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine (CID 62715603) is N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine is CCNC(c1cncnc1)c1ccco1.
What is the InChIKey of N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine?
The InChIKey is AHYTURVNFDUVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-14-11(10-4-3-5-15-10)9-6-12-8-13-7-9/h3-8,11,14H,2H2,1H3.
What are the key properties of N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine?
N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine has a molecular weight of 203.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 62715603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).