4-chloro-2,6-dipyrrolidin-1-ylpyrimidine

C12H17ClN4 — CID 703699

IUPAC4-chloro-2,6-dipyrrolidin-1-ylpyrimidine
SMILESClc1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C12H17ClN4/c13-10-9-11(16-5-1-2-6-16)15-12(14-10)17-7-3-4-8-17/h9H,1-8H2
InChIKeyAAFYAIHAKSPWOE-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.33
Rot. Bonds2

About 4-chloro-2,6-dipyrrolidin-1-ylpyrimidine

4-chloro-2,6-dipyrrolidin-1-ylpyrimidine (PubChem CID 703699) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 4-chloro-2,6-dipyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-dipyrrolidin-1-ylpyrimidine
PubChem CID703699
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name4-chloro-2,6-dipyrrolidin-1-ylpyrimidine
SMILESClc1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C12H17ClN4/c13-10-9-11(16-5-1-2-6-16)15-12(14-10)17-7-3-4-8-17/h9H,1-8H2
InChIKeyAAFYAIHAKSPWOE-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dipyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-2,6-dipyrrolidin-1-ylpyrimidine (CID 703699) is 4-chloro-2,6-dipyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-2,6-dipyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-2,6-dipyrrolidin-1-ylpyrimidine is Clc1cc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-2,6-dipyrrolidin-1-ylpyrimidine?
The InChIKey is AAFYAIHAKSPWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c13-10-9-11(16-5-1-2-6-16)15-12(14-10)17-7-3-4-8-17/h9H,1-8H2.
What are the key properties of 4-chloro-2,6-dipyrrolidin-1-ylpyrimidine?
4-chloro-2,6-dipyrrolidin-1-ylpyrimidine has a molecular weight of 252.75 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dipyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 703699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).