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

C11H14ClF3N2O — CID 80974429

IUPAC4-chloro-5-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1OC(C)C(F)(F)F
InChIInChI=1S/C11H14ClF3N2O/c1-5(2)9-16-8(12)6(3)10(17-9)18-7(4)11(13,14)15/h5,7H,1-4H3
InChIKeyLWLTWCVJBOHQQW-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.89
Rot. Bonds3

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

4-chloro-5-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (PubChem CID 80974429) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
PubChem CID80974429
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name4-chloro-5-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1OC(C)C(F)(F)F
InChIInChI=1S/C11H14ClF3N2O/c1-5(2)9-16-8(12)6(3)10(17-9)18-7(4)11(13,14)15/h5,7H,1-4H3
InChIKeyLWLTWCVJBOHQQW-UHFFFAOYSA-N
XLogP3.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (CID 80974429) is 4-chloro-5-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is Cc1c(Cl)nc(C(C)C)nc1OC(C)C(F)(F)F.
What is the InChIKey of 4-chloro-5-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The InChIKey is LWLTWCVJBOHQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-5(2)9-16-8(12)6(3)10(17-9)18-7(4)11(13,14)15/h5,7H,1-4H3.
What are the key properties of 4-chloro-5-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
4-chloro-5-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine has a molecular weight of 282.69 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is sourced from PubChem (CID 80974429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).