2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

C13H23N3O2 — CID 114206362

IUPAC2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCOC(C)(C)c1ncc(CNCC(C)C)c(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-9(2)6-14-7-10-8-15-12(16-11(10)17)13(3,4)18-5/h8-9,14H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyFIXCYTRWYXEYCH-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.40
Rot. Bonds6

About 2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 114206362) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
PubChem CID114206362
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCOC(C)(C)c1ncc(CNCC(C)C)c(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-9(2)6-14-7-10-8-15-12(16-11(10)17)13(3,4)18-5/h8-9,14H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyFIXCYTRWYXEYCH-UHFFFAOYSA-N
XLogP1.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (CID 114206362) is 2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is COC(C)(C)c1ncc(CNCC(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is FIXCYTRWYXEYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)6-14-7-10-8-15-12(16-11(10)17)13(3,4)18-5/h8-9,14H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114206362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).