2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one

C14H25N3O2 — CID 137256468

IUPAC2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCOCC(NC(C)c1nc(C)cc(=O)[nH]1)C(C)C
InChIInChI=1S/C14H25N3O2/c1-6-19-8-12(9(2)3)16-11(5)14-15-10(4)7-13(18)17-14/h7,9,11-12,16H,6,8H2,1-5H3,(H,15,17,18)
InChIKeyMZWFYUODIQFACO-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.79
Rot. Bonds7

About 2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one

2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137256468) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137256468
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCOCC(NC(C)c1nc(C)cc(=O)[nH]1)C(C)C
InChIInChI=1S/C14H25N3O2/c1-6-19-8-12(9(2)3)16-11(5)14-15-10(4)7-13(18)17-14/h7,9,11-12,16H,6,8H2,1-5H3,(H,15,17,18)
InChIKeyMZWFYUODIQFACO-UHFFFAOYSA-N
XLogP1.79
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one (CID 137256468) is 2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one is CCOCC(NC(C)c1nc(C)cc(=O)[nH]1)C(C)C.
What is the InChIKey of 2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MZWFYUODIQFACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-19-8-12(9(2)3)16-11(5)14-15-10(4)7-13(18)17-14/h7,9,11-12,16H,6,8H2,1-5H3,(H,15,17,18).
What are the key properties of 2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one?
2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 267.37 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137256468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).