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

C14H19N3O2 — CID 136975120

IUPAC4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC(C)c2cc(C)oc2C)cc(=O)[nH]1
InChIInChI=1S/C14H19N3O2/c1-5-12-16-13(7-14(18)17-12)15-9(3)11-6-8(2)19-10(11)4/h6-7,9H,5H2,1-4H3,(H2,15,16,17,18)
InChIKeyRHSQEQYVNLPCPX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.72
Rot. Bonds4

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

4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136975120) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136975120
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC(C)c2cc(C)oc2C)cc(=O)[nH]1
InChIInChI=1S/C14H19N3O2/c1-5-12-16-13(7-14(18)17-12)15-9(3)11-6-8(2)19-10(11)4/h6-7,9H,5H2,1-4H3,(H2,15,16,17,18)
InChIKeyRHSQEQYVNLPCPX-UHFFFAOYSA-N
XLogP2.72
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136975120) is 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NC(C)c2cc(C)oc2C)cc(=O)[nH]1.
What is the InChIKey of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is RHSQEQYVNLPCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-12-16-13(7-14(18)17-12)15-9(3)11-6-8(2)19-10(11)4/h6-7,9H,5H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 261.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136975120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).