2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine

C9H10ClF3N2 — CID 19937170

IUPAC2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)c1ncc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2/c1-8(2,3)7-14-4-5(10)6(15-7)9(11,12)13/h4H,1-3H3
InChIKeyPBTHYDABRMJPLB-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.45
Rot. Bonds

About 2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine

2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine (PubChem CID 19937170) has the molecular formula C9H10ClF3N2 and a molecular weight of 238.64 g/mol. Its IUPAC name is 2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine
PubChem CID19937170
Molecular FormulaC9H10ClF3N2
Molecular Weight238.64 g/mol
Exact Mass238.05
IUPAC Name2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)c1ncc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2/c1-8(2,3)7-14-4-5(10)6(15-7)9(11,12)13/h4H,1-3H3
InChIKeyPBTHYDABRMJPLB-UHFFFAOYSA-N
XLogP3.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 19425182
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CID 20718048
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CID 21667405
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CID 22008852
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CID 22008863
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine (CID 19937170) is 2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine is CC(C)(C)c1ncc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine?
The InChIKey is PBTHYDABRMJPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2/c1-8(2,3)7-14-4-5(10)6(15-7)9(11,12)13/h4H,1-3H3.
What are the key properties of 2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine?
2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine has a molecular weight of 238.64 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 19937170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).