4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one

C13H21N3O3 — CID 136783251

IUPAC4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]c(C(C)C)n2)CC(CO)O1
InChIInChI=1S/C13H21N3O3/c1-8(2)13-14-11(4-12(18)15-13)16-5-9(3)19-10(6-16)7-17/h4,8-10,17H,5-7H2,1-3H3,(H,14,15,18)
InChIKeyNCNVMMLVSWEMLC-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.48
Rot. Bonds3

About 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one

4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136783251) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136783251
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]c(C(C)C)n2)CC(CO)O1
InChIInChI=1S/C13H21N3O3/c1-8(2)13-14-11(4-12(18)15-13)16-5-9(3)19-10(6-16)7-17/h4,8-10,17H,5-7H2,1-3H3,(H,14,15,18)
InChIKeyNCNVMMLVSWEMLC-UHFFFAOYSA-N
XLogP0.48
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136783251) is 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one is CC1CN(c2cc(=O)[nH]c(C(C)C)n2)CC(CO)O1.
What is the InChIKey of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NCNVMMLVSWEMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)13-14-11(4-12(18)15-13)16-5-9(3)19-10(6-16)7-17/h4,8-10,17H,5-7H2,1-3H3,(H,14,15,18).
What are the key properties of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136783251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).