6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid

C10H11N3O3 — CID 83707447

IUPAC6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCCC2)ncn1
InChIInChI=1S/C10H11N3O3/c14-9(13-3-1-2-4-13)7-5-8(10(15)16)12-6-11-7/h5-6H,1-4H2,(H,15,16)
InChIKeyXOLYPUMXESSTSX-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.41
Rot. Bonds2

About 6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid

6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid (PubChem CID 83707447) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
PubChem CID83707447
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCCC2)ncn1
InChIInChI=1S/C10H11N3O3/c14-9(13-3-1-2-4-13)7-5-8(10(15)16)12-6-11-7/h5-6H,1-4H2,(H,15,16)
InChIKeyXOLYPUMXESSTSX-UHFFFAOYSA-N
XLogP0.41
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyrimidine-4,6-dicarboxylic acid;dihydrate
CID 139151595
5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 117213082
1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019
azepan-1-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109352074
azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109343493
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196
[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 123984314
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009
[6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341792
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
(6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone
CID 127265950
(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109341569

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid (CID 83707447) is 6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(C(=O)N2CCCC2)ncn1.
What is the InChIKey of 6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid?
The InChIKey is XOLYPUMXESSTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-9(13-3-1-2-4-13)7-5-8(10(15)16)12-6-11-7/h5-6H,1-4H2,(H,15,16).
What are the key properties of 6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid?
6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83707447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).