4-(2-methylpyrrolidin-3-yl)pyrimidine

C9H13N3 — CID 63987875

IUPAC4-(2-methylpyrrolidin-3-yl)pyrimidine
SMILESCC1NCCC1c1ccncn1
InChIInChI=1S/C9H13N3/c1-7-8(2-5-11-7)9-3-4-10-6-12-9/h3-4,6-8,11H,2,5H2,1H3
InChIKeyDBKOUDVWTPNPKJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.94
Rot. Bonds1

About 4-(2-methylpyrrolidin-3-yl)pyrimidine

4-(2-methylpyrrolidin-3-yl)pyrimidine (PubChem CID 63987875) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-(2-methylpyrrolidin-3-yl)pyrimidine.

Molecular Properties

Compound Name4-(2-methylpyrrolidin-3-yl)pyrimidine
PubChem CID63987875
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-(2-methylpyrrolidin-3-yl)pyrimidine
SMILESCC1NCCC1c1ccncn1
InChIInChI=1S/C9H13N3/c1-7-8(2-5-11-7)9-3-4-10-6-12-9/h3-4,6-8,11H,2,5H2,1H3
InChIKeyDBKOUDVWTPNPKJ-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrrolidin-3-yl)pyrimidine?
The IUPAC name of 4-(2-methylpyrrolidin-3-yl)pyrimidine (CID 63987875) is 4-(2-methylpyrrolidin-3-yl)pyrimidine.
What is the SMILES notation for 4-(2-methylpyrrolidin-3-yl)pyrimidine?
The canonical SMILES for 4-(2-methylpyrrolidin-3-yl)pyrimidine is CC1NCCC1c1ccncn1.
What is the InChIKey of 4-(2-methylpyrrolidin-3-yl)pyrimidine?
The InChIKey is DBKOUDVWTPNPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7-8(2-5-11-7)9-3-4-10-6-12-9/h3-4,6-8,11H,2,5H2,1H3.
What are the key properties of 4-(2-methylpyrrolidin-3-yl)pyrimidine?
4-(2-methylpyrrolidin-3-yl)pyrimidine has a molecular weight of 163.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrrolidin-3-yl)pyrimidine is sourced from PubChem (CID 63987875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).