2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid

C14H20N2O3 — CID 79220141

IUPAC2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCc1nc(=O)n(CC2CC2)c(CC)c1CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-11-10(7-13(17)18)12(4-2)16(14(19)15-11)8-9-5-6-9/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyJAOVTDMZGLPTTB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.41
Rot. Bonds6

About 2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid

2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 79220141) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID79220141
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCc1nc(=O)n(CC2CC2)c(CC)c1CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-11-10(7-13(17)18)12(4-2)16(14(19)15-11)8-9-5-6-9/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyJAOVTDMZGLPTTB-UHFFFAOYSA-N
XLogP1.41
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid (CID 79220141) is 2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid is CCc1nc(=O)n(CC2CC2)c(CC)c1CC(=O)O.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is JAOVTDMZGLPTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-11-10(7-13(17)18)12(4-2)16(14(19)15-11)8-9-5-6-9/h9H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 79220141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).