2-methyl-4-pyrrolidin-3-ylpyrimidine

C9H13N3 — CID 80503403

IUPAC2-methyl-4-pyrrolidin-3-ylpyrimidine
SMILESCc1nccc(C2CCNC2)n1
InChIInChI=1S/C9H13N3/c1-7-11-5-3-9(12-7)8-2-4-10-6-8/h3,5,8,10H,2,4,6H2,1H3
InChIKeyRKMRZRYZJSRHBK-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.86
Rot. Bonds1

About 2-methyl-4-pyrrolidin-3-ylpyrimidine

2-methyl-4-pyrrolidin-3-ylpyrimidine (PubChem CID 80503403) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methyl-4-pyrrolidin-3-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-pyrrolidin-3-ylpyrimidine
PubChem CID80503403
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-methyl-4-pyrrolidin-3-ylpyrimidine
SMILESCc1nccc(C2CCNC2)n1
InChIInChI=1S/C9H13N3/c1-7-11-5-3-9(12-7)8-2-4-10-6-8/h3,5,8,10H,2,4,6H2,1H3
InChIKeyRKMRZRYZJSRHBK-UHFFFAOYSA-N
XLogP0.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrrolidin-3-ylpyrimidine?
The IUPAC name of 2-methyl-4-pyrrolidin-3-ylpyrimidine (CID 80503403) is 2-methyl-4-pyrrolidin-3-ylpyrimidine.
What is the SMILES notation for 2-methyl-4-pyrrolidin-3-ylpyrimidine?
The canonical SMILES for 2-methyl-4-pyrrolidin-3-ylpyrimidine is Cc1nccc(C2CCNC2)n1.
What is the InChIKey of 2-methyl-4-pyrrolidin-3-ylpyrimidine?
The InChIKey is RKMRZRYZJSRHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7-11-5-3-9(12-7)8-2-4-10-6-8/h3,5,8,10H,2,4,6H2,1H3.
What are the key properties of 2-methyl-4-pyrrolidin-3-ylpyrimidine?
2-methyl-4-pyrrolidin-3-ylpyrimidine has a molecular weight of 163.22 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrolidin-3-ylpyrimidine is sourced from PubChem (CID 80503403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).