3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid

C15H24N2O3 — CID 65293601

IUPAC3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid
SMILESCc1nc(=O)n(CC(C)(C)C)c(C)c1CC(C)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-9(13(18)19)7-12-10(2)16-14(20)17(11(12)3)8-15(4,5)6/h9H,7-8H2,1-6H3,(H,18,19)
InChIKeyCNRSQRBCOHRXEL-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.17
Rot. Bonds4

About 3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid

3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid (PubChem CID 65293601) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid
PubChem CID65293601
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid
SMILESCc1nc(=O)n(CC(C)(C)C)c(C)c1CC(C)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-9(13(18)19)7-12-10(2)16-14(20)17(11(12)3)8-15(4,5)6/h9H,7-8H2,1-6H3,(H,18,19)
InChIKeyCNRSQRBCOHRXEL-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid (CID 65293601) is 3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid is Cc1nc(=O)n(CC(C)(C)C)c(C)c1CC(C)C(=O)O.
What is the InChIKey of 3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid?
The InChIKey is CNRSQRBCOHRXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9(13(18)19)7-12-10(2)16-14(20)17(11(12)3)8-15(4,5)6/h9H,7-8H2,1-6H3,(H,18,19).
What are the key properties of 3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid?
3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid has a molecular weight of 280.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 65293601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).