2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one

C19H24N2O3 — CID 18717791

IUPAC2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one
SMILESCC(=O)C(C)Cc1ccc(OCCn2c(C)nc(C)cc2=O)cc1
InChIInChI=1S/C19H24N2O3/c1-13(15(3)22)11-17-5-7-18(8-6-17)24-10-9-21-16(4)20-14(2)12-19(21)23/h5-8,12-13H,9-11H2,1-4H3
InChIKeyBXARNVVUARSORW-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.71
Rot. Bonds7

About 2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one

2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one (PubChem CID 18717791) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one
PubChem CID18717791
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one
SMILESCC(=O)C(C)Cc1ccc(OCCn2c(C)nc(C)cc2=O)cc1
InChIInChI=1S/C19H24N2O3/c1-13(15(3)22)11-17-5-7-18(8-6-17)24-10-9-21-16(4)20-14(2)12-19(21)23/h5-8,12-13H,9-11H2,1-4H3
InChIKeyBXARNVVUARSORW-UHFFFAOYSA-N
XLogP2.71
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one (CID 18717791) is 2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one is CC(=O)C(C)Cc1ccc(OCCn2c(C)nc(C)cc2=O)cc1.
What is the InChIKey of 2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one?
The InChIKey is BXARNVVUARSORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(15(3)22)11-17-5-7-18(8-6-17)24-10-9-21-16(4)20-14(2)12-19(21)23/h5-8,12-13H,9-11H2,1-4H3.
What are the key properties of 2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one?
2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one has a molecular weight of 328.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one is sourced from PubChem (CID 18717791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).