2-(1-methylpyrrolidin-2-yl)pyrimidine

C9H13N3 — CID 89060530

IUPAC2-(1-methylpyrrolidin-2-yl)pyrimidine
SMILESCN1CCCC1c1ncccn1
InChIInChI=1S/C9H13N3/c1-12-7-2-4-8(12)9-10-5-3-6-11-9/h3,5-6,8H,2,4,7H2,1H3
InChIKeyNWBGUOKOXKOSJX-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.24
Rot. Bonds1

About 2-(1-methylpyrrolidin-2-yl)pyrimidine

2-(1-methylpyrrolidin-2-yl)pyrimidine (PubChem CID 89060530) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)pyrimidine
PubChem CID89060530
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-(1-methylpyrrolidin-2-yl)pyrimidine
SMILESCN1CCCC1c1ncccn1
InChIInChI=1S/C9H13N3/c1-12-7-2-4-8(12)9-10-5-3-6-11-9/h3,5-6,8H,2,4,7H2,1H3
InChIKeyNWBGUOKOXKOSJX-UHFFFAOYSA-N
XLogP1.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)pyrimidine?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)pyrimidine (CID 89060530) is 2-(1-methylpyrrolidin-2-yl)pyrimidine.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)pyrimidine?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)pyrimidine is CN1CCCC1c1ncccn1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)pyrimidine?
The InChIKey is NWBGUOKOXKOSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-12-7-2-4-8(12)9-10-5-3-6-11-9/h3,5-6,8H,2,4,7H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)pyrimidine?
2-(1-methylpyrrolidin-2-yl)pyrimidine has a molecular weight of 163.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)pyrimidine is sourced from PubChem (CID 89060530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).