2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine

C8H9Cl2N3O — CID 118464443

IUPAC2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine
SMILESClc1ncc(Cl)c(O[C@@H]2CCNC2)n1
InChIInChI=1S/C8H9Cl2N3O/c9-6-4-12-8(10)13-7(6)14-5-1-2-11-3-5/h4-5,11H,1-3H2/t5-/m1/s1
InChIKeyAFJXQRQROZAUMT-RXMQYKEDSA-N
MW234.09 g/mol
LogP1.52
Rot. Bonds2

About 2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine

2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine (PubChem CID 118464443) has the molecular formula C8H9Cl2N3O and a molecular weight of 234.09 g/mol. Its IUPAC name is 2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine
PubChem CID118464443
Molecular FormulaC8H9Cl2N3O
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine
SMILESClc1ncc(Cl)c(O[C@@H]2CCNC2)n1
InChIInChI=1S/C8H9Cl2N3O/c9-6-4-12-8(10)13-7(6)14-5-1-2-11-3-5/h4-5,11H,1-3H2/t5-/m1/s1
InChIKeyAFJXQRQROZAUMT-RXMQYKEDSA-N
XLogP1.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine?
The IUPAC name of 2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine (CID 118464443) is 2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine.
What is the SMILES notation for 2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine?
The canonical SMILES for 2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine is Clc1ncc(Cl)c(O[C@@H]2CCNC2)n1.
What is the InChIKey of 2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine?
The InChIKey is AFJXQRQROZAUMT-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9Cl2N3O/c9-6-4-12-8(10)13-7(6)14-5-1-2-11-3-5/h4-5,11H,1-3H2/t5-/m1/s1.
What are the key properties of 2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine?
2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine has a molecular weight of 234.09 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine is sourced from PubChem (CID 118464443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).