4-chloro-5-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine

C14H19ClF3N3 — CID 80969759

IUPAC4-chloro-5-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H19ClF3N3/c1-8(2)12-19-11(15)9(3)13(20-12)21-6-4-5-10(7-21)14(16,17)18/h8,10H,4-7H2,1-3H3
InChIKeyBQCFJOCLSXSCST-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.34
Rot. Bonds2

About 4-chloro-5-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine

4-chloro-5-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 80969759) has the molecular formula C14H19ClF3N3 and a molecular weight of 321.77 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID80969759
Molecular FormulaC14H19ClF3N3
Molecular Weight321.77 g/mol
Exact Mass321.12
IUPAC Name4-chloro-5-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H19ClF3N3/c1-8(2)12-19-11(15)9(3)13(20-12)21-6-4-5-10(7-21)14(16,17)18/h8,10H,4-7H2,1-3H3
InChIKeyBQCFJOCLSXSCST-UHFFFAOYSA-N
XLogP4.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.34
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-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 80969759) is 4-chloro-5-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine is Cc1c(Cl)nc(C(C)C)nc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-chloro-5-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is BQCFJOCLSXSCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3/c1-8(2)12-19-11(15)9(3)13(20-12)21-6-4-5-10(7-21)14(16,17)18/h8,10H,4-7H2,1-3H3.
What are the key properties of 4-chloro-5-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
4-chloro-5-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 321.77 g/mol, XLogP of 4.34, 2 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-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 80969759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).