2-(ethylaminomethyl)pyrimidine-5-carboxylic acid

C8H11N3O2 — CID 84657807

IUPAC2-(ethylaminomethyl)pyrimidine-5-carboxylic acid
SMILESCCNCc1ncc(C(=O)O)cn1
InChIInChI=1S/C8H11N3O2/c1-2-9-5-7-10-3-6(4-11-7)8(12)13/h3-4,9H,2,5H2,1H3,(H,12,13)
InChIKeyFAESHKSDSKDPGZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.28
Rot. Bonds4

About 2-(ethylaminomethyl)pyrimidine-5-carboxylic acid

2-(ethylaminomethyl)pyrimidine-5-carboxylic acid (PubChem CID 84657807) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(ethylaminomethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(ethylaminomethyl)pyrimidine-5-carboxylic acid
PubChem CID84657807
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(ethylaminomethyl)pyrimidine-5-carboxylic acid
SMILESCCNCc1ncc(C(=O)O)cn1
InChIInChI=1S/C8H11N3O2/c1-2-9-5-7-10-3-6(4-11-7)8(12)13/h3-4,9H,2,5H2,1H3,(H,12,13)
InChIKeyFAESHKSDSKDPGZ-UHFFFAOYSA-N
XLogP0.28
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(ethylaminomethyl)pyrimidine-5-carboxylic acid (CID 84657807) is 2-(ethylaminomethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(ethylaminomethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(ethylaminomethyl)pyrimidine-5-carboxylic acid is CCNCc1ncc(C(=O)O)cn1.
What is the InChIKey of 2-(ethylaminomethyl)pyrimidine-5-carboxylic acid?
The InChIKey is FAESHKSDSKDPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-9-5-7-10-3-6(4-11-7)8(12)13/h3-4,9H,2,5H2,1H3,(H,12,13).
What are the key properties of 2-(ethylaminomethyl)pyrimidine-5-carboxylic acid?
2-(ethylaminomethyl)pyrimidine-5-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 84657807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).