4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine

C11H14ClN3 — CID 63355532

IUPAC4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine
SMILESClc1cc(C2CC2)nc(N2CCCC2)n1
InChIInChI=1S/C11H14ClN3/c12-10-7-9(8-3-4-8)13-11(14-10)15-5-1-2-6-15/h7-8H,1-6H2
InChIKeyHSDOVXAOGQMEQD-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.61
Rot. Bonds2

About 4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine

4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 63355532) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine
PubChem CID63355532
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine
SMILESClc1cc(C2CC2)nc(N2CCCC2)n1
InChIInChI=1S/C11H14ClN3/c12-10-7-9(8-3-4-8)13-11(14-10)15-5-1-2-6-15/h7-8H,1-6H2
InChIKeyHSDOVXAOGQMEQD-UHFFFAOYSA-N
XLogP2.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine (CID 63355532) is 4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine is Clc1cc(C2CC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is HSDOVXAOGQMEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c12-10-7-9(8-3-4-8)13-11(14-10)15-5-1-2-6-15/h7-8H,1-6H2.
What are the key properties of 4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine?
4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 223.71 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 63355532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).