4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine

C11H14ClF3N4 — CID 55230663

IUPAC4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESCc1c(Cl)ncnc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H14ClF3N4/c1-8-9(12)16-7-17-10(8)19-4-2-18(3-5-19)6-11(13,14)15/h7H,2-6H2,1H3
InChIKeyJVKSYSYHUITCBQ-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.12
Rot. Bonds2

About 4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine

4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (PubChem CID 55230663) has the molecular formula C11H14ClF3N4 and a molecular weight of 294.71 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
PubChem CID55230663
Molecular FormulaC11H14ClF3N4
Molecular Weight294.71 g/mol
Exact Mass294.09
IUPAC Name4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESCc1c(Cl)ncnc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H14ClF3N4/c1-8-9(12)16-7-17-10(8)19-4-2-18(3-5-19)6-11(13,14)15/h7H,2-6H2,1H3
InChIKeyJVKSYSYHUITCBQ-UHFFFAOYSA-N
XLogP2.12
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (CID 55230663) is 4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is Cc1c(Cl)ncnc1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The InChIKey is JVKSYSYHUITCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4/c1-8-9(12)16-7-17-10(8)19-4-2-18(3-5-19)6-11(13,14)15/h7H,2-6H2,1H3.
What are the key properties of 4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine has a molecular weight of 294.71 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 55230663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).