6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide

C23H24FN5O — CID 68759707

IUPAC6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1-c1cc(C(N)=O)nc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C23H24FN5O/c1-15-6-5-7-16(2)21(15)18-14-19(22(25)30)27-23(26-18)29-12-10-28(11-13-29)20-9-4-3-8-17(20)24/h3-9,14H,10-13H2,1-2H3,(H2,25,30)
InChIKeyNHCJFMMJFIUWSU-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.33
Rot. Bonds4

About 6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide

6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 68759707) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID68759707
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1-c1cc(C(N)=O)nc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C23H24FN5O/c1-15-6-5-7-16(2)21(15)18-14-19(22(25)30)27-23(26-18)29-12-10-28(11-13-29)20-9-4-3-8-17(20)24/h3-9,14H,10-13H2,1-2H3,(H2,25,30)
InChIKeyNHCJFMMJFIUWSU-UHFFFAOYSA-N
XLogP3.33
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 68759707) is 6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide is Cc1cccc(C)c1-c1cc(C(N)=O)nc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is NHCJFMMJFIUWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-15-6-5-7-16(2)21(15)18-14-19(22(25)30)27-23(26-18)29-12-10-28(11-13-29)20-9-4-3-8-17(20)24/h3-9,14H,10-13H2,1-2H3,(H2,25,30).
What are the key properties of 6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 68759707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).