1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid

C11H16N4O2 — CID 166434688

IUPAC1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCc1ncc(CN2CCC(C(=O)O)C2)c(N)n1
InChIInChI=1S/C11H16N4O2/c1-7-13-4-9(10(12)14-7)6-15-3-2-8(5-15)11(16)17/h4,8H,2-3,5-6H2,1H3,(H,16,17)(H2,12,13,14)
InChIKeyPUXQPKNPWJDZTP-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.27
Rot. Bonds3

About 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid

1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 166434688) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID166434688
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCc1ncc(CN2CCC(C(=O)O)C2)c(N)n1
InChIInChI=1S/C11H16N4O2/c1-7-13-4-9(10(12)14-7)6-15-3-2-8(5-15)11(16)17/h4,8H,2-3,5-6H2,1H3,(H,16,17)(H2,12,13,14)
InChIKeyPUXQPKNPWJDZTP-UHFFFAOYSA-N
XLogP0.27
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid (CID 166434688) is 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid is Cc1ncc(CN2CCC(C(=O)O)C2)c(N)n1.
What is the InChIKey of 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PUXQPKNPWJDZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-13-4-9(10(12)14-7)6-15-3-2-8(5-15)11(16)17/h4,8H,2-3,5-6H2,1H3,(H,16,17)(H2,12,13,14).
What are the key properties of 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid?
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 166434688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).