N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine

C15H21N3O — CID 104790727

IUPACN-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1cc(CC(C)C)nc(-c2ccoc2C)n1
InChIInChI=1S/C15H21N3O/c1-5-16-14-9-12(8-10(2)3)17-15(18-14)13-6-7-19-11(13)4/h6-7,9-10H,5,8H2,1-4H3,(H,16,17,18)
InChIKeyMRGBZXPPJHCSNP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.68
Rot. Bonds5

About N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine

N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 104790727) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID104790727
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1cc(CC(C)C)nc(-c2ccoc2C)n1
InChIInChI=1S/C15H21N3O/c1-5-16-14-9-12(8-10(2)3)17-15(18-14)13-6-7-19-11(13)4/h6-7,9-10H,5,8H2,1-4H3,(H,16,17,18)
InChIKeyMRGBZXPPJHCSNP-UHFFFAOYSA-N
XLogP3.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113453441
2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 107504381
2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 106889292
4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine
CID 164648918
N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 104790819
2-(3-bromo-4-fluorophenyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 82787744
N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790643
2-(3-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine
CID 106889189
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
N-ethyl-2-(5-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 81312552
N-ethyl-6-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191589
N,6-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 55220926

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine (CID 104790727) is N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine is CCNc1cc(CC(C)C)nc(-c2ccoc2C)n1.
What is the InChIKey of N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is MRGBZXPPJHCSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-16-14-9-12(8-10(2)3)17-15(18-14)13-6-7-19-11(13)4/h6-7,9-10H,5,8H2,1-4H3,(H,16,17,18).
What are the key properties of N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 259.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 104790727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).