2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine

C9H10ClF3N2O2 — CID 58467956

IUPAC2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine
SMILESCOC[C@@H](C)Oc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C9H10ClF3N2O2/c1-5(4-16-2)17-7-6(9(11,12)13)3-14-8(10)15-7/h3,5H,4H2,1-2H3/t5-/m1/s1
InChIKeyIECMBRFHQKKVGD-RXMQYKEDSA-N
MW270.64 g/mol
LogP2.56
Rot. Bonds4

About 2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine

2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine (PubChem CID 58467956) has the molecular formula C9H10ClF3N2O2 and a molecular weight of 270.64 g/mol. Its IUPAC name is 2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine
PubChem CID58467956
Molecular FormulaC9H10ClF3N2O2
Molecular Weight270.64 g/mol
Exact Mass270.04
IUPAC Name2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine
SMILESCOC[C@@H](C)Oc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C9H10ClF3N2O2/c1-5(4-16-2)17-7-6(9(11,12)13)3-14-8(10)15-7/h3,5H,4H2,1-2H3/t5-/m1/s1
InChIKeyIECMBRFHQKKVGD-RXMQYKEDSA-N
XLogP2.56
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)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 2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine (CID 58467956) is 2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine is COC[C@@H](C)Oc1nc(Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is IECMBRFHQKKVGD-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2/c1-5(4-16-2)17-7-6(9(11,12)13)3-14-8(10)15-7/h3,5H,4H2,1-2H3/t5-/m1/s1.
What are the key properties of 2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine?
2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 270.64 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58467956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).