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

C14H23N3O2 — CID 104747408

IUPAC6-methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one
SMILESCCCNC(Cn1cnc(C)cc1=O)C1CCOC1
InChIInChI=1S/C14H23N3O2/c1-3-5-15-13(12-4-6-19-9-12)8-17-10-16-11(2)7-14(17)18/h7,10,12-13,15H,3-6,8-9H2,1-2H3
InChIKeyLPMXIZFVAYDPHD-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.96
Rot. Bonds6

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

6-methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one (PubChem CID 104747408) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one
PubChem CID104747408
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6-methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one
SMILESCCCNC(Cn1cnc(C)cc1=O)C1CCOC1
InChIInChI=1S/C14H23N3O2/c1-3-5-15-13(12-4-6-19-9-12)8-17-10-16-11(2)7-14(17)18/h7,10,12-13,15H,3-6,8-9H2,1-2H3
InChIKeyLPMXIZFVAYDPHD-UHFFFAOYSA-N
XLogP0.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.96
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-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one (CID 104747408) is 6-methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one is CCCNC(Cn1cnc(C)cc1=O)C1CCOC1.
What is the InChIKey of 6-methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one?
The InChIKey is LPMXIZFVAYDPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-5-15-13(12-4-6-19-9-12)8-17-10-16-11(2)7-14(17)18/h7,10,12-13,15H,3-6,8-9H2,1-2H3.
What are the key properties of 6-methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one?
6-methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one has a molecular weight of 265.36 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 104747408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).