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

C11H14ClF3N4 — CID 55152858

IUPAC4-chloro-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESCc1nc(Cl)cc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H14ClF3N4/c1-8-16-9(12)6-10(17-8)19-4-2-18(3-5-19)7-11(13,14)15/h6H,2-5,7H2,1H3
InChIKeyBZVRRCMPHBIBJL-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.12
Rot. Bonds2

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

4-chloro-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (PubChem CID 55152858) has the molecular formula C11H14ClF3N4 and a molecular weight of 294.71 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
PubChem CID55152858
Molecular FormulaC11H14ClF3N4
Molecular Weight294.71 g/mol
Exact Mass294.09
IUPAC Name4-chloro-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESCc1nc(Cl)cc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H14ClF3N4/c1-8-16-9(12)6-10(17-8)19-4-2-18(3-5-19)7-11(13,14)15/h6H,2-5,7H2,1H3
InChIKeyBZVRRCMPHBIBJL-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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Related Compounds

6-Chloro-N~4~,N~4~-diethylpyrimidine-2,4-diamine
CID 1484287
4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129180
2,4-Pyrimidinediamine, 6-chloro-N,N,N',N'-tetramethyl-
CID 136757
6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 13151078
6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 13151080
4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25130911
4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 15567718
4-Chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 1484519
4-Chloro-6-(4-methylpiperazin-1-yl)pyrimidine
CID 8178074
4-Chloro-6-(piperazin-1-yl)pyrimidine
CID 16092266
6-Chloro-N,N,2-trimethyl-4-pyrimidinamine
CID 40787015
4-Chloro-2-methyl-6-pyrrolidin-1-yl-pyrimidine
CID 40787016

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (CID 55152858) is 4-chloro-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is Cc1nc(Cl)cc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The InChIKey is BZVRRCMPHBIBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4/c1-8-16-9(12)6-10(17-8)19-4-2-18(3-5-19)7-11(13,14)15/h6H,2-5,7H2,1H3.
What are the key properties of 4-chloro-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
4-chloro-2-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-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 55152858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).