(2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate

C10H13N3O2 — CID 175337994

IUPAC(2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate
SMILESCc1nccc(OC(=O)C2CCCN2)n1
InChIInChI=1S/C10H13N3O2/c1-7-11-6-4-9(13-7)15-10(14)8-3-2-5-12-8/h4,6,8,12H,2-3,5H2,1H3
InChIKeyQGHBZXVWYYWJID-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.44
Rot. Bonds2

About (2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate

(2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate (PubChem CID 175337994) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate
PubChem CID175337994
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate
SMILESCc1nccc(OC(=O)C2CCCN2)n1
InChIInChI=1S/C10H13N3O2/c1-7-11-6-4-9(13-7)15-10(14)8-3-2-5-12-8/h4,6,8,12H,2-3,5H2,1H3
InChIKeyQGHBZXVWYYWJID-UHFFFAOYSA-N
XLogP0.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate?
The IUPAC name of (2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate (CID 175337994) is (2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate.
What is the SMILES notation for (2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate?
The canonical SMILES for (2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate is Cc1nccc(OC(=O)C2CCCN2)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate?
The InChIKey is QGHBZXVWYYWJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-11-6-4-9(13-7)15-10(14)8-3-2-5-12-8/h4,6,8,12H,2-3,5H2,1H3.
What are the key properties of (2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate?
(2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate is sourced from PubChem (CID 175337994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).