2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane

C16H20ClFN4 — CID 143330280

IUPAC2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane
SMILESCC.Fc1cnc(Cl)nc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H14ClFN4.C2H6/c15-14-17-10-12(16)13(18-14)20-8-6-19(7-9-20)11-4-2-1-3-5-11;1-2/h1-5,10H,6-9H2;1-2H3
InChIKeyQRGPMFWFZOKMHY-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.62
Rot. Bonds2

About 2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane

2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane (PubChem CID 143330280) has the molecular formula C16H20ClFN4 and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane
PubChem CID143330280
Molecular FormulaC16H20ClFN4
Molecular Weight322.82 g/mol
Exact Mass322.14
IUPAC Name2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane
SMILESCC.Fc1cnc(Cl)nc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H14ClFN4.C2H6/c15-14-17-10-12(16)13(18-14)20-8-6-19(7-9-20)11-4-2-1-3-5-11;1-2/h1-5,10H,6-9H2;1-2H3
InChIKeyQRGPMFWFZOKMHY-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 79081860
2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
CID 53393355
tert-butyl 4-(2-chloro-5-fluoropyrimidin-4-yl)piperazine-1-carboxylate
CID 56763780
5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 79076229
1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
CID 79075282
4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 63735915
2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine
CID 62859583
4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 63735916
1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole
CID 123693539
3-(2,5-dichloropyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 79631998
3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
CID 10430594

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane?
The IUPAC name of 2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane (CID 143330280) is 2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane.
What is the SMILES notation for 2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane?
The canonical SMILES for 2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane is CC.Fc1cnc(Cl)nc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane?
The InChIKey is QRGPMFWFZOKMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4.C2H6/c15-14-17-10-12(16)13(18-14)20-8-6-19(7-9-20)11-4-2-1-3-5-11;1-2/h1-5,10H,6-9H2;1-2H3.
What are the key properties of 2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane?
2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane has a molecular weight of 322.82 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane is sourced from PubChem (CID 143330280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).