1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C9H12N4O2 — CID 178108022

IUPAC1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESNc1nccc(N2CCC(C(=O)O)C2)n1
InChIInChI=1S/C9H12N4O2/c10-9-11-3-1-7(12-9)13-4-2-6(5-13)8(14)15/h1,3,6H,2,4-5H2,(H,14,15)(H2,10,11,12)
InChIKeyJOJCLTWPDYHREZ-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.03
Rot. Bonds2

About 1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid

1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 178108022) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID178108022
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESNc1nccc(N2CCC(C(=O)O)C2)n1
InChIInChI=1S/C9H12N4O2/c10-9-11-3-1-7(12-9)13-4-2-6(5-13)8(14)15/h1,3,6H,2,4-5H2,(H,14,15)(H2,10,11,12)
InChIKeyJOJCLTWPDYHREZ-UHFFFAOYSA-N
XLogP-0.03
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine
CID 103541763
4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80827694
4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80845282
1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79825655
(3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid
CID 28875677
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
[(3S)-1-(2-aminopyrimidin-4-yl)piperidin-3-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 95562830
ethyl (3S)-1-(2-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 129499368
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 129353758
[1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 156607349

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 178108022) is 1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid is Nc1nccc(N2CCC(C(=O)O)C2)n1.
What is the InChIKey of 1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is JOJCLTWPDYHREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-9-11-3-1-7(12-9)13-4-2-6(5-13)8(14)15/h1,3,6H,2,4-5H2,(H,14,15)(H2,10,11,12).
What are the key properties of 1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 178108022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).