5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine

C16H21FN6 — CID 136557301

IUPAC5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine
SMILESCc1nc(C)c(F)c(N2CCN(CCc3cnccn3)CC2)n1
InChIInChI=1S/C16H21FN6/c1-12-15(17)16(21-13(2)20-12)23-9-7-22(8-10-23)6-3-14-11-18-4-5-19-14/h4-5,11H,3,6-10H2,1-2H3
InChIKeyCDLBTQFDXIBIQL-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.39
Rot. Bonds4

About 5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine

5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine (PubChem CID 136557301) has the molecular formula C16H21FN6 and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine
PubChem CID136557301
Molecular FormulaC16H21FN6
Molecular Weight316.38 g/mol
Exact Mass316.18
IUPAC Name5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine
SMILESCc1nc(C)c(F)c(N2CCN(CCc3cnccn3)CC2)n1
InChIInChI=1S/C16H21FN6/c1-12-15(17)16(21-13(2)20-12)23-9-7-22(8-10-23)6-3-14-11-18-4-5-19-14/h4-5,11H,3,6-10H2,1-2H3
InChIKeyCDLBTQFDXIBIQL-UHFFFAOYSA-N
XLogP1.39
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine (CID 136557301) is 5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine is Cc1nc(C)c(F)c(N2CCN(CCc3cnccn3)CC2)n1.
What is the InChIKey of 5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine?
The InChIKey is CDLBTQFDXIBIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6/c1-12-15(17)16(21-13(2)20-12)23-9-7-22(8-10-23)6-3-14-11-18-4-5-19-14/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of 5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine?
5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine has a molecular weight of 316.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dimethyl-6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 136557301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).