2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine

C8H10ClFN2O — CID 170576744

IUPAC2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine
SMILESCOc1cc(C(C)(C)F)nc(Cl)n1
InChIInChI=1S/C8H10ClFN2O/c1-8(2,10)5-4-6(13-3)12-7(9)11-5/h4H,1-3H3
InChIKeyOFRQUXFDNZUKLW-UHFFFAOYSA-N
MW204.63 g/mol
LogP2.34
Rot. Bonds2

About 2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine

2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine (PubChem CID 170576744) has the molecular formula C8H10ClFN2O and a molecular weight of 204.63 g/mol. Its IUPAC name is 2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine
PubChem CID170576744
Molecular FormulaC8H10ClFN2O
Molecular Weight204.63 g/mol
Exact Mass204.05
IUPAC Name2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine
SMILESCOc1cc(C(C)(C)F)nc(Cl)n1
InChIInChI=1S/C8H10ClFN2O/c1-8(2,10)5-4-6(13-3)12-7(9)11-5/h4H,1-3H3
InChIKeyOFRQUXFDNZUKLW-UHFFFAOYSA-N
XLogP2.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine?
The IUPAC name of 2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine (CID 170576744) is 2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine.
What is the SMILES notation for 2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine?
The canonical SMILES for 2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine is COc1cc(C(C)(C)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine?
The InChIKey is OFRQUXFDNZUKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O/c1-8(2,10)5-4-6(13-3)12-7(9)11-5/h4H,1-3H3.
What are the key properties of 2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine?
2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine has a molecular weight of 204.63 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine is sourced from PubChem (CID 170576744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).