4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine

C9H8ClF3N2 — CID 19009717

IUPAC4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine
SMILESC=CCc1c(C)nc(C(F)(F)F)nc1Cl
InChIInChI=1S/C9H8ClF3N2/c1-3-4-6-5(2)14-8(9(11,12)13)15-7(6)10/h3H,1,4H2,2H3
InChIKeyBKQUUAUKAGVHSO-UHFFFAOYSA-N
MW236.62 g/mol
LogP3.19
Rot. Bonds2

About 4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine

4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine (PubChem CID 19009717) has the molecular formula C9H8ClF3N2 and a molecular weight of 236.62 g/mol. Its IUPAC name is 4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine
PubChem CID19009717
Molecular FormulaC9H8ClF3N2
Molecular Weight236.62 g/mol
Exact Mass236.03
IUPAC Name4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine
SMILESC=CCc1c(C)nc(C(F)(F)F)nc1Cl
InChIInChI=1S/C9H8ClF3N2/c1-3-4-6-5(2)14-8(9(11,12)13)15-7(6)10/h3H,1,4H2,2H3
InChIKeyBKQUUAUKAGVHSO-UHFFFAOYSA-N
XLogP3.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine (CID 19009717) is 4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine is C=CCc1c(C)nc(C(F)(F)F)nc1Cl.
What is the InChIKey of 4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is BKQUUAUKAGVHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2/c1-3-4-6-5(2)14-8(9(11,12)13)15-7(6)10/h3H,1,4H2,2H3.
What are the key properties of 4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine?
4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 236.62 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 19009717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).