2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one

C15H21N3O2 — CID 136538272

IUPAC2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C(C)NC(C)c2cc(C)oc2C)n1
InChIInChI=1S/C15H21N3O2/c1-8-6-14(19)18-15(16-8)11(4)17-10(3)13-7-9(2)20-12(13)5/h6-7,10-11,17H,1-5H3,(H,16,18,19)
InChIKeyKWAKTZCFLODZMO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.70
Rot. Bonds4

About 2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one

2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136538272) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136538272
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C(C)NC(C)c2cc(C)oc2C)n1
InChIInChI=1S/C15H21N3O2/c1-8-6-14(19)18-15(16-8)11(4)17-10(3)13-7-9(2)20-12(13)5/h6-7,10-11,17H,1-5H3,(H,16,18,19)
InChIKeyKWAKTZCFLODZMO-UHFFFAOYSA-N
XLogP2.70
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one (CID 136538272) is 2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C(C)NC(C)c2cc(C)oc2C)n1.
What is the InChIKey of 2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is KWAKTZCFLODZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-8-6-14(19)18-15(16-8)11(4)17-10(3)13-7-9(2)20-12(13)5/h6-7,10-11,17H,1-5H3,(H,16,18,19).
What are the key properties of 2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one?
2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 275.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136538272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).