N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine

C13H17N3O — CID 62344748

IUPACN-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCCc1ccc(CNCc2ccnc(C)n2)o1
InChIInChI=1S/C13H17N3O/c1-3-12-4-5-13(17-12)9-14-8-11-6-7-15-10(2)16-11/h4-7,14H,3,8-9H2,1-2H3
InChIKeyHPEYRHMWKOVXTN-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.23
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine

N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 62344748) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
PubChem CID62344748
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCCc1ccc(CNCc2ccnc(C)n2)o1
InChIInChI=1S/C13H17N3O/c1-3-12-4-5-13(17-12)9-14-8-11-6-7-15-10(2)16-11/h4-7,14H,3,8-9H2,1-2H3
InChIKeyHPEYRHMWKOVXTN-UHFFFAOYSA-N
XLogP2.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine (CID 62344748) is N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine is CCc1ccc(CNCc2ccnc(C)n2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is HPEYRHMWKOVXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-12-4-5-13(17-12)9-14-8-11-6-7-15-10(2)16-11/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 62344748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).