2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine

C15H21N3O — CID 79219302

IUPAC2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine
SMILESCCc1nc(-c2ccco2)nc(CC)c1CCNC
InChIInChI=1S/C15H21N3O/c1-4-12-11(8-9-16-3)13(5-2)18-15(17-12)14-7-6-10-19-14/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyXMDRJALGBKWNBZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.62
Rot. Bonds6

About 2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine

2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine (PubChem CID 79219302) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine
PubChem CID79219302
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine
SMILESCCc1nc(-c2ccco2)nc(CC)c1CCNC
InChIInChI=1S/C15H21N3O/c1-4-12-11(8-9-16-3)13(5-2)18-15(17-12)14-7-6-10-19-14/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyXMDRJALGBKWNBZ-UHFFFAOYSA-N
XLogP2.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine (CID 79219302) is 2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine is CCc1nc(-c2ccco2)nc(CC)c1CCNC.
What is the InChIKey of 2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine?
The InChIKey is XMDRJALGBKWNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-12-11(8-9-16-3)13(5-2)18-15(17-12)14-7-6-10-19-14/h6-7,10,16H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine?
2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 79219302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).