2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

C13H21N3O2 — CID 136905794

IUPAC2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2CCOC2CC)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-3-10-9(5-6-18-10)8-14-12-7-13(17)16-11(4-2)15-12/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyKQVJJAVLTOJUQP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.56
Rot. Bonds5

About 2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136905794) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136905794
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2CCOC2CC)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-3-10-9(5-6-18-10)8-14-12-7-13(17)16-11(4-2)15-12/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyKQVJJAVLTOJUQP-UHFFFAOYSA-N
XLogP1.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136905794) is 2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is CCc1nc(NCC2CCOC2CC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is KQVJJAVLTOJUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-10-9(5-6-18-10)8-14-12-7-13(17)16-11(4-2)15-12/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136905794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).