4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine

C10H6ClF3N2O2 — CID 178173724

IUPAC4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ccoc2)nc(Cl)c1C(F)(F)F
InChIInChI=1S/C10H6ClF3N2O2/c1-17-9-6(10(12,13)14)7(11)15-8(16-9)5-2-3-18-4-5/h2-4H,1H3
InChIKeyHNVUNGJHRUGVTG-UHFFFAOYSA-N
MW278.62 g/mol
LogP3.42
Rot. Bonds2

About 4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine

4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine (PubChem CID 178173724) has the molecular formula C10H6ClF3N2O2 and a molecular weight of 278.62 g/mol. Its IUPAC name is 4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine
PubChem CID178173724
Molecular FormulaC10H6ClF3N2O2
Molecular Weight278.62 g/mol
Exact Mass278.01
IUPAC Name4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ccoc2)nc(Cl)c1C(F)(F)F
InChIInChI=1S/C10H6ClF3N2O2/c1-17-9-6(10(12,13)14)7(11)15-8(16-9)5-2-3-18-4-5/h2-4H,1H3
InChIKeyHNVUNGJHRUGVTG-UHFFFAOYSA-N
XLogP3.42
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine (CID 178173724) is 4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine is COc1nc(-c2ccoc2)nc(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is HNVUNGJHRUGVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O2/c1-17-9-6(10(12,13)14)7(11)15-8(16-9)5-2-3-18-4-5/h2-4H,1H3.
What are the key properties of 4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine?
4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 278.62 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 178173724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).