5-(diethylaminomethyl)pyrimidine-4-carboxylic acid

C10H15N3O2 — CID 3439616

IUPAC5-(diethylaminomethyl)pyrimidine-4-carboxylic acid
SMILESCCN(CC)Cc1cncnc1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-3-13(4-2)6-8-5-11-7-12-9(8)10(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyBUVQYSANZMMZQL-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.02
Rot. Bonds5

About 5-(diethylaminomethyl)pyrimidine-4-carboxylic acid

5-(diethylaminomethyl)pyrimidine-4-carboxylic acid (PubChem CID 3439616) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(diethylaminomethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(diethylaminomethyl)pyrimidine-4-carboxylic acid
PubChem CID3439616
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(diethylaminomethyl)pyrimidine-4-carboxylic acid
SMILESCCN(CC)Cc1cncnc1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-3-13(4-2)6-8-5-11-7-12-9(8)10(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyBUVQYSANZMMZQL-UHFFFAOYSA-N
XLogP1.02
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-(diethylaminomethyl)pyrimidine-4-carboxylic acid (CID 3439616) is 5-(diethylaminomethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(diethylaminomethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(diethylaminomethyl)pyrimidine-4-carboxylic acid is CCN(CC)Cc1cncnc1C(=O)O.
What is the InChIKey of 5-(diethylaminomethyl)pyrimidine-4-carboxylic acid?
The InChIKey is BUVQYSANZMMZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-13(4-2)6-8-5-11-7-12-9(8)10(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 5-(diethylaminomethyl)pyrimidine-4-carboxylic acid?
5-(diethylaminomethyl)pyrimidine-4-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 3439616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).