2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid

C12H18N2O3 — CID 43145192

IUPAC2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
SMILESCCC(C)n1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C12H18N2O3/c1-5-7(2)14-9(4)10(6-11(15)16)8(3)13-12(14)17/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyFNQACPNKSUBHEZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.46
Rot. Bonds4

About 2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid

2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid (PubChem CID 43145192) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
PubChem CID43145192
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
SMILESCCC(C)n1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C12H18N2O3/c1-5-7(2)14-9(4)10(6-11(15)16)8(3)13-12(14)17/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyFNQACPNKSUBHEZ-UHFFFAOYSA-N
XLogP1.46
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid (CID 43145192) is 2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid is CCC(C)n1c(C)c(CC(=O)O)c(C)nc1=O.
What is the InChIKey of 2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The InChIKey is FNQACPNKSUBHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-5-7(2)14-9(4)10(6-11(15)16)8(3)13-12(14)17/h7H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid has a molecular weight of 238.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid is sourced from PubChem (CID 43145192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).