2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid

C9H13N3O2 — CID 82169792

IUPAC2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid
SMILESCCNc1cc(C(=O)O)nc(CC)n1
InChIInChI=1S/C9H13N3O2/c1-3-7-11-6(9(13)14)5-8(12-7)10-4-2/h5H,3-4H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyYFLBJZCMJMAYSW-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.17
Rot. Bonds4

About 2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid

2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid (PubChem CID 82169792) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid
PubChem CID82169792
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid
SMILESCCNc1cc(C(=O)O)nc(CC)n1
InChIInChI=1S/C9H13N3O2/c1-3-7-11-6(9(13)14)5-8(12-7)10-4-2/h5H,3-4H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyYFLBJZCMJMAYSW-UHFFFAOYSA-N
XLogP1.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(ethylamino)-2-(methylsulfanylmethyl)pyrimidine-4-carboxylic acid
CID 82169840
6-anilino-2-ethylpyrimidine-4-carboxylic acid
CID 82293665
2,6-diethylpyrimidine-4-carboxylic acid
CID 83816909
6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82169857
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202
6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 82169824
6-(ethylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82169806
4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
CID 80933799
1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80933087
6-ethoxy-2-ethylpyrimidine-4-carboxylic acid
CID 83879725
2-[(2-amino-2-oxoethyl)-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80934481
1-[ethyl-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80942101

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid (CID 82169792) is 2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid is CCNc1cc(C(=O)O)nc(CC)n1.
What is the InChIKey of 2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid?
The InChIKey is YFLBJZCMJMAYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-7-11-6(9(13)14)5-8(12-7)10-4-2/h5H,3-4H2,1-2H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid?
2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82169792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).