N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine

C12H15N3O2 — CID 102951879

IUPACN-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ncn1)c1ccco1
InChIInChI=1S/C12H15N3O2/c1-3-13-12(10-5-4-6-17-10)9-7-11(16-2)15-8-14-9/h4-8,12-13H,3H2,1-2H3
InChIKeyNKALVVKVBNWXRH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.78
Rot. Bonds5

About N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine

N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine (PubChem CID 102951879) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine
PubChem CID102951879
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ncn1)c1ccco1
InChIInChI=1S/C12H15N3O2/c1-3-13-12(10-5-4-6-17-10)9-7-11(16-2)15-8-14-9/h4-8,12-13H,3H2,1-2H3
InChIKeyNKALVVKVBNWXRH-UHFFFAOYSA-N
XLogP1.78
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951699
N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951729
N-ethyl-1-(6-methoxypyrimidin-4-yl)-2-methylbutan-1-amine
CID 102951564
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951759
N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951792
N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360723
N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 102951798
N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 102951660
N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine
CID 62715603
N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43492710
N-ethyl-2-(4-ethylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102951640

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine (CID 102951879) is N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine is CCNC(c1cc(OC)ncn1)c1ccco1.
What is the InChIKey of N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The InChIKey is NKALVVKVBNWXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-13-12(10-5-4-6-17-10)9-7-11(16-2)15-8-14-9/h4-8,12-13H,3H2,1-2H3.
What are the key properties of N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine has a molecular weight of 233.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 102951879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).