4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine

C9H10ClF3N2 — CID 54131874

IUPAC4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)nc(Cl)c1C(C)C
InChIInChI=1S/C9H10ClF3N2/c1-4(2)6-5(3)14-8(9(11,12)13)15-7(6)10/h4H,1-3H3
InChIKeyNUYBVBGZQFXKBF-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.58
Rot. Bonds1

About 4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine

4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 54131874) has the molecular formula C9H10ClF3N2 and a molecular weight of 238.64 g/mol. Its IUPAC name is 4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID54131874
Molecular FormulaC9H10ClF3N2
Molecular Weight238.64 g/mol
Exact Mass238.05
IUPAC Name4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)nc(Cl)c1C(C)C
InChIInChI=1S/C9H10ClF3N2/c1-4(2)6-5(3)14-8(9(11,12)13)15-7(6)10/h4H,1-3H3
InChIKeyNUYBVBGZQFXKBF-UHFFFAOYSA-N
XLogP3.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 54131874) is 4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine is Cc1nc(C(F)(F)F)nc(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is NUYBVBGZQFXKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2/c1-4(2)6-5(3)14-8(9(11,12)13)15-7(6)10/h4H,1-3H3.
What are the key properties of 4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
4-chloro-6-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 238.64 g/mol, XLogP of 3.58, 1 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-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 54131874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).