6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one

C12H19N3O2 — CID 104747403

IUPAC6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
SMILESCNC(Cn1cnc(C)cc1=O)C1CCOC1
InChIInChI=1S/C12H19N3O2/c1-9-5-12(16)15(8-14-9)6-11(13-2)10-3-4-17-7-10/h5,8,10-11,13H,3-4,6-7H2,1-2H3
InChIKeyYYRBLBKFMVCWMJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.18
Rot. Bonds4

About 6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one

6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one (PubChem CID 104747403) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
PubChem CID104747403
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
SMILESCNC(Cn1cnc(C)cc1=O)C1CCOC1
InChIInChI=1S/C12H19N3O2/c1-9-5-12(16)15(8-14-9)6-11(13-2)10-3-4-17-7-10/h5,8,10-11,13H,3-4,6-7H2,1-2H3
InChIKeyYYRBLBKFMVCWMJ-UHFFFAOYSA-N
XLogP0.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one (CID 104747403) is 6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one is CNC(Cn1cnc(C)cc1=O)C1CCOC1.
What is the InChIKey of 6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one?
The InChIKey is YYRBLBKFMVCWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-5-12(16)15(8-14-9)6-11(13-2)10-3-4-17-7-10/h5,8,10-11,13H,3-4,6-7H2,1-2H3.
What are the key properties of 6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one?
6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one has a molecular weight of 237.30 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 104747403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).