1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C10H13N3O2 — CID 61225686

IUPAC1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(N2CCCC2C(=O)O)ncn1
InChIInChI=1S/C10H13N3O2/c1-7-5-9(12-6-11-7)13-4-2-3-8(13)10(14)15/h5-6,8H,2-4H2,1H3,(H,14,15)
InChIKeyMBDKXZVHGORGLL-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.84
Rot. Bonds2

About 1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid

1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 61225686) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID61225686
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(N2CCCC2C(=O)O)ncn1
InChIInChI=1S/C10H13N3O2/c1-7-5-9(12-6-11-7)13-4-2-3-8(13)10(14)15/h5-6,8H,2-4H2,1H3,(H,14,15)
InChIKeyMBDKXZVHGORGLL-UHFFFAOYSA-N
XLogP0.84
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 61225686) is 1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is Cc1cc(N2CCCC2C(=O)O)ncn1.
What is the InChIKey of 1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is MBDKXZVHGORGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-5-9(12-6-11-7)13-4-2-3-8(13)10(14)15/h5-6,8H,2-4H2,1H3,(H,14,15).
What are the key properties of 1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61225686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).