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

C15H24N2O3 — CID 65038994

IUPAC2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCC(CC)(CC)n1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C15H24N2O3/c1-6-15(7-2,8-3)17-11(5)12(9-13(18)19)10(4)16-14(17)20/h6-9H2,1-5H3,(H,18,19)
InChIKeyPOAFNORBBVUYEZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.41
Rot. Bonds6

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

2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 65038994) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID65038994
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCC(CC)(CC)n1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C15H24N2O3/c1-6-15(7-2,8-3)17-11(5)12(9-13(18)19)10(4)16-14(17)20/h6-9H2,1-5H3,(H,18,19)
InChIKeyPOAFNORBBVUYEZ-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (CID 65038994) is 2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is CCC(CC)(CC)n1c(C)c(CC(=O)O)c(C)nc1=O.
What is the InChIKey of 2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is POAFNORBBVUYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-6-15(7-2,8-3)17-11(5)12(9-13(18)19)10(4)16-14(17)20/h6-9H2,1-5H3,(H,18,19).
What are the key properties of 2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 65038994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).