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

C13H18ClF3N4 — CID 63728209

IUPAC4-chloro-5-propyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESCCCc1c(Cl)ncnc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H18ClF3N4/c1-2-3-10-11(14)18-9-19-12(10)21-6-4-20(5-7-21)8-13(15,16)17/h9H,2-8H2,1H3
InChIKeyNZPZUDAFEUXQGR-UHFFFAOYSA-N
MW322.76 g/mol
LogP2.77
Rot. Bonds4

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

4-chloro-5-propyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (PubChem CID 63728209) has the molecular formula C13H18ClF3N4 and a molecular weight of 322.76 g/mol. Its IUPAC name is 4-chloro-5-propyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-propyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
PubChem CID63728209
Molecular FormulaC13H18ClF3N4
Molecular Weight322.76 g/mol
Exact Mass322.12
IUPAC Name4-chloro-5-propyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESCCCc1c(Cl)ncnc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H18ClF3N4/c1-2-3-10-11(14)18-9-19-12(10)21-6-4-20(5-7-21)8-13(15,16)17/h9H,2-8H2,1H3
InChIKeyNZPZUDAFEUXQGR-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-5-(3-fluoropropyl)pyrimidin-4-amine
CID 123699533
4-Chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine
CID 141291417
(5R)-4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine
CID 141291429
4-Chloro-6-fluoro-5-propylpyrimidine
CID 155572473
6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 55228552
6-chloro-5-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 55229131
4-Chloro-5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 55230663
6-chloro-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 55231425
6-chloro-5-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 55231618
6-chloro-5-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 63727814
6-chloro-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 63727894
4-Chloro-5-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 63728210

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-propyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-5-propyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (CID 63728209) is 4-chloro-5-propyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-5-propyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-5-propyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is CCCc1c(Cl)ncnc1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-chloro-5-propyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The InChIKey is NZPZUDAFEUXQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N4/c1-2-3-10-11(14)18-9-19-12(10)21-6-4-20(5-7-21)8-13(15,16)17/h9H,2-8H2,1H3.
What are the key properties of 4-chloro-5-propyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
4-chloro-5-propyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine has a molecular weight of 322.76 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-propyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 63728209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).