N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine

C13H17N3O — CID 104790819

IUPACN-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(-c2ccoc2C)n1
InChIInChI=1S/C13H17N3O/c1-4-14-8-11-7-9(2)15-13(16-11)12-5-6-17-10(12)3/h5-7,14H,4,8H2,1-3H3
InChIKeyIYTBPYMZAOOUNP-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.46
Rot. Bonds4

About N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine

N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 104790819) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID104790819
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(-c2ccoc2C)n1
InChIInChI=1S/C13H17N3O/c1-4-14-8-11-7-9(2)15-13(16-11)12-5-6-17-10(12)3/h5-7,14H,4,8H2,1-3H3
InChIKeyIYTBPYMZAOOUNP-UHFFFAOYSA-N
XLogP2.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 62746211
N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 114245237
4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol
CID 136889379
N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 55114618
N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 62744634
4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine
CID 164648918
N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104790727
2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine
CID 104790887
N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 62744975
N-ethyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788840
N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790643
N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113453441

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine (CID 104790819) is N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine is CCNCc1cc(C)nc(-c2ccoc2C)n1.
What is the InChIKey of N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is IYTBPYMZAOOUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-14-8-11-7-9(2)15-13(16-11)12-5-6-17-10(12)3/h5-7,14H,4,8H2,1-3H3.
What are the key properties of N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine?
N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 104790819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).