4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine

C13H16ClF3N4 — CID 106767336

IUPAC4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C13H16ClF3N4/c14-10-7-11(19-12(18-10)13(15,16)17)21-5-3-20(4-6-21)8-9-1-2-9/h7,9H,1-6,8H2
InChIKeyQLMVQBDMHZGRNB-UHFFFAOYSA-N
MW320.75 g/mol
LogP2.68
Rot. Bonds3

About 4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine

4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine (PubChem CID 106767336) has the molecular formula C13H16ClF3N4 and a molecular weight of 320.75 g/mol. Its IUPAC name is 4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
PubChem CID106767336
Molecular FormulaC13H16ClF3N4
Molecular Weight320.75 g/mol
Exact Mass320.10
IUPAC Name4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C13H16ClF3N4/c14-10-7-11(19-12(18-10)13(15,16)17)21-5-3-20(4-6-21)8-9-1-2-9/h7,9H,1-6,8H2
InChIKeyQLMVQBDMHZGRNB-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 106767232
4-(4-tert-butylpiperazin-1-yl)-6-chloro-2-(trifluoromethyl)pyrimidine
CID 106767317
6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 102717810
8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane
CID 106767758
N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 106768259
4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106767266
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 106767915
4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 133335948
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine
CID 106768492
(2S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 145433357
2-tert-butyl-4-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
CID 80946423
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine
CID 80953701

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine (CID 106767336) is 4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(Cl)cc(N2CCN(CC3CC3)CC2)n1.
What is the InChIKey of 4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is QLMVQBDMHZGRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N4/c14-10-7-11(19-12(18-10)13(15,16)17)21-5-3-20(4-6-21)8-9-1-2-9/h7,9H,1-6,8H2.
What are the key properties of 4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine?
4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 320.75 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106767336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).