4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine

C7H9ClFN3O2 — CID 142635654

IUPAC4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine
SMILESCCOc1nc(N)nc(Cl)c1OCF
InChIInChI=1S/C7H9ClFN3O2/c1-2-13-6-4(14-3-9)5(8)11-7(10)12-6/h2-3H2,1H3,(H2,10,11,12)
InChIKeyUNOBILWVIBSKFB-UHFFFAOYSA-N
MW221.62 g/mol
LogP1.42
Rot. Bonds4

About 4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine

4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine (PubChem CID 142635654) has the molecular formula C7H9ClFN3O2 and a molecular weight of 221.62 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine
PubChem CID142635654
Molecular FormulaC7H9ClFN3O2
Molecular Weight221.62 g/mol
Exact Mass221.04
IUPAC Name4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine
SMILESCCOc1nc(N)nc(Cl)c1OCF
InChIInChI=1S/C7H9ClFN3O2/c1-2-13-6-4(14-3-9)5(8)11-7(10)12-6/h2-3H2,1H3,(H2,10,11,12)
InChIKeyUNOBILWVIBSKFB-UHFFFAOYSA-N
XLogP1.42
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.62
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine (CID 142635654) is 4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine is CCOc1nc(N)nc(Cl)c1OCF.
What is the InChIKey of 4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine?
The InChIKey is UNOBILWVIBSKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFN3O2/c1-2-13-6-4(14-3-9)5(8)11-7(10)12-6/h2-3H2,1H3,(H2,10,11,12).
What are the key properties of 4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine?
4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine has a molecular weight of 221.62 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine is sourced from PubChem (CID 142635654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).