4-chloro-6-pyrrolidin-1-ylpyrimidine

C8H10ClN3 — CID 22309524

IUPAC4-chloro-6-pyrrolidin-1-ylpyrimidine
SMILESClc1cc(N2CCCC2)ncn1
InChIInChI=1S/C8H10ClN3/c9-7-5-8(11-6-10-7)12-3-1-2-4-12/h5-6H,1-4H2
InChIKeyDJVYVHPCLCIYDY-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.73
Rot. Bonds1

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

4-chloro-6-pyrrolidin-1-ylpyrimidine (PubChem CID 22309524) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 4-chloro-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-pyrrolidin-1-ylpyrimidine
PubChem CID22309524
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name4-chloro-6-pyrrolidin-1-ylpyrimidine
SMILESClc1cc(N2CCCC2)ncn1
InChIInChI=1S/C8H10ClN3/c9-7-5-8(11-6-10-7)12-3-1-2-4-12/h5-6H,1-4H2
InChIKeyDJVYVHPCLCIYDY-UHFFFAOYSA-N
XLogP1.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-6-pyrrolidin-1-ylpyrimidine (CID 22309524) is 4-chloro-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-6-pyrrolidin-1-ylpyrimidine is Clc1cc(N2CCCC2)ncn1.
What is the InChIKey of 4-chloro-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is DJVYVHPCLCIYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c9-7-5-8(11-6-10-7)12-3-1-2-4-12/h5-6H,1-4H2.
What are the key properties of 4-chloro-6-pyrrolidin-1-ylpyrimidine?
4-chloro-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 183.64 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 22309524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).