4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

C13H17ClF3N3 — CID 80945752

IUPAC4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCCCc1nc(Cl)cc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H17ClF3N3/c1-2-3-11-18-10(14)8-12(19-11)20-6-4-9(5-7-20)13(15,16)17/h8-9H,2-7H2,1H3
InChIKeyYHAQIEMLJSLBFQ-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.86
Rot. Bonds3

About 4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 80945752) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID80945752
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCCCc1nc(Cl)cc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H17ClF3N3/c1-2-3-11-18-10(14)8-12(19-11)20-6-4-9(5-7-20)13(15,16)17/h8-9H,2-7H2,1H3
InChIKeyYHAQIEMLJSLBFQ-UHFFFAOYSA-N
XLogP3.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 80945752) is 4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is CCCc1nc(Cl)cc(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is YHAQIEMLJSLBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3/c1-2-3-11-18-10(14)8-12(19-11)20-6-4-9(5-7-20)13(15,16)17/h8-9H,2-7H2,1H3.
What are the key properties of 4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 307.75 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 80945752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).