4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

C10H12ClF3N2O — CID 66275019

IUPAC4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCC(C)c1c(Cl)ncnc1OC(C)C(F)(F)F
InChIInChI=1S/C10H12ClF3N2O/c1-5(2)7-8(11)15-4-16-9(7)17-6(3)10(12,13)14/h4-6H,1-3H3
InChIKeyJRYNMFBPMDOSRF-UHFFFAOYSA-N
MW268.67 g/mol
LogP3.58
Rot. Bonds3

About 4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (PubChem CID 66275019) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
PubChem CID66275019
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCC(C)c1c(Cl)ncnc1OC(C)C(F)(F)F
InChIInChI=1S/C10H12ClF3N2O/c1-5(2)7-8(11)15-4-16-9(7)17-6(3)10(12,13)14/h4-6H,1-3H3
InChIKeyJRYNMFBPMDOSRF-UHFFFAOYSA-N
XLogP3.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The IUPAC name of 4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (CID 66275019) is 4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The canonical SMILES for 4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is CC(C)c1c(Cl)ncnc1OC(C)C(F)(F)F.
What is the InChIKey of 4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The InChIKey is JRYNMFBPMDOSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-5(2)7-8(11)15-4-16-9(7)17-6(3)10(12,13)14/h4-6H,1-3H3.
What are the key properties of 4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine has a molecular weight of 268.67 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is sourced from PubChem (CID 66275019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).