3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid

C12H19N5O2 — CID 56707605

IUPAC3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESCCNc1ncc(CN2CCC(N)(C(=O)O)C2)cn1
InChIInChI=1S/C12H19N5O2/c1-2-14-11-15-5-9(6-16-11)7-17-4-3-12(13,8-17)10(18)19/h5-6H,2-4,7-8,13H2,1H3,(H,18,19)(H,14,15,16)
InChIKeyAXTAIGRADBKCPB-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.10
Rot. Bonds5

About 3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid

3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 56707605) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID56707605
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESCCNc1ncc(CN2CCC(N)(C(=O)O)C2)cn1
InChIInChI=1S/C12H19N5O2/c1-2-14-11-15-5-9(6-16-11)7-17-4-3-12(13,8-17)10(18)19/h5-6H,2-4,7-8,13H2,1H3,(H,18,19)(H,14,15,16)
InChIKeyAXTAIGRADBKCPB-UHFFFAOYSA-N
XLogP-0.10
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid (CID 56707605) is 3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid is CCNc1ncc(CN2CCC(N)(C(=O)O)C2)cn1.
What is the InChIKey of 3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AXTAIGRADBKCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-2-14-11-15-5-9(6-16-11)7-17-4-3-12(13,8-17)10(18)19/h5-6H,2-4,7-8,13H2,1H3,(H,18,19)(H,14,15,16).
What are the key properties of 3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 265.32 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 56707605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).