2,5-dichloro-4-propoxypyrimidine

C7H8Cl2N2O — CID 58539337

IUPAC2,5-dichloro-4-propoxypyrimidine
SMILESCCCOc1nc(Cl)ncc1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-2-3-12-6-5(8)4-10-7(9)11-6/h4H,2-3H2,1H3
InChIKeyPGDZDQHUXDNXDA-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.57
Rot. Bonds3

About 2,5-dichloro-4-propoxypyrimidine

2,5-dichloro-4-propoxypyrimidine (PubChem CID 58539337) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 2,5-dichloro-4-propoxypyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-propoxypyrimidine
PubChem CID58539337
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name2,5-dichloro-4-propoxypyrimidine
SMILESCCCOc1nc(Cl)ncc1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-2-3-12-6-5(8)4-10-7(9)11-6/h4H,2-3H2,1H3
InChIKeyPGDZDQHUXDNXDA-UHFFFAOYSA-N
XLogP2.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-propoxypyrimidine?
The IUPAC name of 2,5-dichloro-4-propoxypyrimidine (CID 58539337) is 2,5-dichloro-4-propoxypyrimidine.
What is the SMILES notation for 2,5-dichloro-4-propoxypyrimidine?
The canonical SMILES for 2,5-dichloro-4-propoxypyrimidine is CCCOc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-propoxypyrimidine?
The InChIKey is PGDZDQHUXDNXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-2-3-12-6-5(8)4-10-7(9)11-6/h4H,2-3H2,1H3.
What are the key properties of 2,5-dichloro-4-propoxypyrimidine?
2,5-dichloro-4-propoxypyrimidine has a molecular weight of 207.06 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-propoxypyrimidine is sourced from PubChem (CID 58539337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).