2-(diethylamino)pyrimidine-5-carboxylic acid

C9H13N3O2 — CID 42281393

IUPAC2-(diethylamino)pyrimidine-5-carboxylic acid
SMILESCCN(CC)c1ncc(C(=O)O)cn1
InChIInChI=1S/C9H13N3O2/c1-3-12(4-2)9-10-5-7(6-11-9)8(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyOACXBTKYFLQXJS-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.02
Rot. Bonds4

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

2-(diethylamino)pyrimidine-5-carboxylic acid (PubChem CID 42281393) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(diethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(diethylamino)pyrimidine-5-carboxylic acid
PubChem CID42281393
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(diethylamino)pyrimidine-5-carboxylic acid
SMILESCCN(CC)c1ncc(C(=O)O)cn1
InChIInChI=1S/C9H13N3O2/c1-3-12(4-2)9-10-5-7(6-11-9)8(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyOACXBTKYFLQXJS-UHFFFAOYSA-N
XLogP1.02
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid
CID 113387735
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104
2-(diethylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252730
2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 82283844
[4-[2-(diethylamino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262135
2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid
CID 174724908
2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 83830301
4-[6-(diethylamino)-3-pyridinyl]benzoic acid
CID 82123769
3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 63208615
2-(ethylaminomethyl)pyrimidine-5-carboxylic acid
CID 84657807
ethyl 4-[[2-(diethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109262560
N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide
CID 109262569

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(diethylamino)pyrimidine-5-carboxylic acid (CID 42281393) is 2-(diethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(diethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(diethylamino)pyrimidine-5-carboxylic acid is CCN(CC)c1ncc(C(=O)O)cn1.
What is the InChIKey of 2-(diethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is OACXBTKYFLQXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-12(4-2)9-10-5-7(6-11-9)8(13)14/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-(diethylamino)pyrimidine-5-carboxylic acid?
2-(diethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 42281393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).