5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid

C11H16N2O2 — CID 155392667

IUPAC5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid
SMILESCCC(C)(CC)c1cnc(C(=O)O)nc1
InChIInChI=1S/C11H16N2O2/c1-4-11(3,5-2)8-6-12-9(10(14)15)13-7-8/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyFURVSTDBJWDMAB-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.25
Rot. Bonds4

About 5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid

5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid (PubChem CID 155392667) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid
PubChem CID155392667
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid
SMILESCCC(C)(CC)c1cnc(C(=O)O)nc1
InChIInChI=1S/C11H16N2O2/c1-4-11(3,5-2)8-6-12-9(10(14)15)13-7-8/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyFURVSTDBJWDMAB-UHFFFAOYSA-N
XLogP2.25
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid (CID 155392667) is 5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid is CCC(C)(CC)c1cnc(C(=O)O)nc1.
What is the InChIKey of 5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid?
The InChIKey is FURVSTDBJWDMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-11(3,5-2)8-6-12-9(10(14)15)13-7-8/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid?
5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpentan-3-yl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 155392667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).