4,6-dichloro-2-propan-2-yloxypyrimidine

C7H8Cl2N2O — CID 75132209

IUPAC4,6-dichloro-2-propan-2-yloxypyrimidine
SMILESCC(C)Oc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C7H8Cl2N2O/c1-4(2)12-7-10-5(8)3-6(9)11-7/h3-4H,1-2H3
InChIKeyRPDPXJQVOKRAAK-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.57
Rot. Bonds2

About 4,6-dichloro-2-propan-2-yloxypyrimidine

4,6-dichloro-2-propan-2-yloxypyrimidine (PubChem CID 75132209) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 4,6-dichloro-2-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-propan-2-yloxypyrimidine
PubChem CID75132209
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name4,6-dichloro-2-propan-2-yloxypyrimidine
SMILESCC(C)Oc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C7H8Cl2N2O/c1-4(2)12-7-10-5(8)3-6(9)11-7/h3-4H,1-2H3
InChIKeyRPDPXJQVOKRAAK-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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-propan-2-yloxypyrimidine?
The IUPAC name of 4,6-dichloro-2-propan-2-yloxypyrimidine (CID 75132209) is 4,6-dichloro-2-propan-2-yloxypyrimidine.
What is the SMILES notation for 4,6-dichloro-2-propan-2-yloxypyrimidine?
The canonical SMILES for 4,6-dichloro-2-propan-2-yloxypyrimidine is CC(C)Oc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-propan-2-yloxypyrimidine?
The InChIKey is RPDPXJQVOKRAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-4(2)12-7-10-5(8)3-6(9)11-7/h3-4H,1-2H3.
What are the key properties of 4,6-dichloro-2-propan-2-yloxypyrimidine?
4,6-dichloro-2-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 4,6-dichloro-2-propan-2-yloxypyrimidine is sourced from PubChem (CID 75132209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).