6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid

C11H17N3O2 — CID 163661550

IUPAC6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid
SMILESCCCCc1ncnc(C(=O)O)c1CNC
InChIInChI=1S/C11H17N3O2/c1-3-4-5-9-8(6-12-2)10(11(15)16)14-7-13-9/h7,12H,3-6H2,1-2H3,(H,15,16)
InChIKeyIUVIRZMLDPGMQU-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.24
Rot. Bonds6

About 6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid

6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid (PubChem CID 163661550) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid
PubChem CID163661550
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid
SMILESCCCCc1ncnc(C(=O)O)c1CNC
InChIInChI=1S/C11H17N3O2/c1-3-4-5-9-8(6-12-2)10(11(15)16)14-7-13-9/h7,12H,3-6H2,1-2H3,(H,15,16)
InChIKeyIUVIRZMLDPGMQU-UHFFFAOYSA-N
XLogP1.24
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid (CID 163661550) is 6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid is CCCCc1ncnc(C(=O)O)c1CNC.
What is the InChIKey of 6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid?
The InChIKey is IUVIRZMLDPGMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-4-5-9-8(6-12-2)10(11(15)16)14-7-13-9/h7,12H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid?
6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 163661550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).