4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine

C8H8Cl2F2N2O — CID 166128446

IUPAC4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)c(OC(F)F)c(Cl)n1
InChIInChI=1S/C8H8Cl2F2N2O/c1-3(2)7-13-5(9)4(6(10)14-7)15-8(11)12/h3,8H,1-2H3
InChIKeyHAYNMZBKCQOSJY-UHFFFAOYSA-N
MW257.07 g/mol
LogP3.51
Rot. Bonds3

About 4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine

4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine (PubChem CID 166128446) has the molecular formula C8H8Cl2F2N2O and a molecular weight of 257.07 g/mol. Its IUPAC name is 4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine
PubChem CID166128446
Molecular FormulaC8H8Cl2F2N2O
Molecular Weight257.07 g/mol
Exact Mass256.00
IUPAC Name4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)c(OC(F)F)c(Cl)n1
InChIInChI=1S/C8H8Cl2F2N2O/c1-3(2)7-13-5(9)4(6(10)14-7)15-8(11)12/h3,8H,1-2H3
InChIKeyHAYNMZBKCQOSJY-UHFFFAOYSA-N
XLogP3.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-5-methoxy-2-methylPyrimidine
CID 58293651
4,6-Dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine
CID 151083653
2,4,6-Trichloro-5-(trifluoromethoxy)pyrimidine
CID 153338691
4,6-Dichloro-5-methoxy-2-pyrimidinamine
CID 18520611
2,4,6-Trichloro-5-(difluoromethoxy)pyrimidine
CID 21694253
2,4-Difluoro-6-chlorodifluoromethoxypyrimidine
CID 21996893
4,6-Dichloro-5-(difluoromethoxy)pyrimidin-2-amine
CID 21996894
2-Amino-4-chlorodifluoromethoxy-6-fluoropyrimidine
CID 21996901
4,6-dichloro-5-(difluoromethoxy)-N-methylpyrimidin-2-amine
CID 21996904
4-Chlorodifluoromethoxy-6-dimethylamino-2-methylaminopyrimidine
CID 86747119
6-chloro-5-(difluoromethoxy)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 88378972
6-chloro-5-(difluoromethoxy)-4-N-ethyl-2-N-methylpyrimidine-2,4-diamine
CID 88378973

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine (CID 166128446) is 4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine is CC(C)c1nc(Cl)c(OC(F)F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine?
The InChIKey is HAYNMZBKCQOSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2F2N2O/c1-3(2)7-13-5(9)4(6(10)14-7)15-8(11)12/h3,8H,1-2H3.
What are the key properties of 4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine?
4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine has a molecular weight of 257.07 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(difluoromethoxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 166128446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).