2,5-dichloro-4-propan-2-yloxypyrimidine

C7H8Cl2N2O — CID 58539287

IUPAC2,5-dichloro-4-propan-2-yloxypyrimidine
SMILESCC(C)Oc1nc(Cl)ncc1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-4(2)12-6-5(8)3-10-7(9)11-6/h3-4H,1-2H3
InChIKeyZQFKLIHXNBEAHA-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.57
Rot. Bonds2

About 2,5-dichloro-4-propan-2-yloxypyrimidine

2,5-dichloro-4-propan-2-yloxypyrimidine (PubChem CID 58539287) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 2,5-dichloro-4-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-propan-2-yloxypyrimidine
PubChem CID58539287
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name2,5-dichloro-4-propan-2-yloxypyrimidine
SMILESCC(C)Oc1nc(Cl)ncc1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-4(2)12-6-5(8)3-10-7(9)11-6/h3-4H,1-2H3
InChIKeyZQFKLIHXNBEAHA-UHFFFAOYSA-N
XLogP2.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze 2,5-dichloro-4-propan-2-yloxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 122536457
CID 122536457
CID 11622416
CID 11622416
CID 49761746
CID 49761746
CID 4737280
CID 4737280
CID 13869566
CID 13869566
CID 62338309
CID 62338309
CID 79076021
CID 79076021
CID 14874945
CID 14874945
CID 129785473
CID 129785473
CID 14270028
CID 14270028
CID 67514127
CID 67514127
CID 79006435
CID 79006435

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-propan-2-yloxypyrimidine?
The IUPAC name of 2,5-dichloro-4-propan-2-yloxypyrimidine (CID 58539287) is 2,5-dichloro-4-propan-2-yloxypyrimidine.
What is the SMILES notation for 2,5-dichloro-4-propan-2-yloxypyrimidine?
The canonical SMILES for 2,5-dichloro-4-propan-2-yloxypyrimidine is CC(C)Oc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-propan-2-yloxypyrimidine?
The InChIKey is ZQFKLIHXNBEAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-4(2)12-6-5(8)3-10-7(9)11-6/h3-4H,1-2H3.
What are the key properties of 2,5-dichloro-4-propan-2-yloxypyrimidine?
2,5-dichloro-4-propan-2-yloxypyrimidine has a molecular weight of 207.06 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-propan-2-yloxypyrimidine is sourced from PubChem (CID 58539287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).